SCHEMBL5370802

SCHEMBL5370802

CC(CC(=O)C(=O)C1CCCCC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ EPHX1 P07099 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ POLB P06746 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4548053 0.76 HPGD (0.56) HPGDRAB9ACYP3A4CYP2C19ALDH1A1
SCHEMBL2782422 0.75 FFAR1 (0.51) HPGDRAB9ACYP3A4CYP2C19ALDH1A1
SCHEMBL28184652 0.73 FFAR1 (0.50) HPGDRAB9ACYP3A4CYP2C19ALDH1A1
SCHEMBL2439080 0.72 FAAH (0.57) HPGDRAB9ACYP3A4CYP2C19KMT2A
SCHEMBL11586847 0.72 EPHX2 (0.56) HPGDCYP2C19ALDH1A1SMN1; SMN2KMT2A
SCHEMBL11142933 0.72 FFAR1 (0.49) HPGDRAB9ACYP3A4CYP2C19ALDH1A1
SCHEMBL6449911 0.71 FFAR1 (0.51) HPGDRAB9ACYP3A4CYP2C19ALDH1A1
SCHEMBL237090 0.70 FFAR1 (0.70) HPGDRAB9ACYP3A4CYP2C19ALDH1A1
SCHEMBL7398650 0.70 ACHE (0.60) HPGDRAB9ACYP3A4CYP2C19ALDH1A1
SCHEMBL1149768 0.70 FFAR1 (0.70) HPGDRAB9ACYP3A4CYP2C19ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309702-B2 4-(3-Phenyl-3-carbocycloylpropyl)-1-phenyl- or pyridylpiperazine derivatives: 1-(2-methoxyphenyl)-4-[3-(benzoyl)-3-(phenyl)propyl]piperazine oxalate; serotonin receptor antagonists; Alzheimer's disease AVERA PHARMACEUTICALS, INC. (US) 2007-12-18 — — US disclosed
US-7001908-B2 Arylpiperazines having activity at the serotonin 1A receptor AVERA PHARMACEUTICALS, INC. (US) 2006-02-21 — — US disclosed
US-20060009464-A1 Arylpiperazines having activity at the serotonin 1A receptor ELI LILLY AND COMPANY 2006-01-12 — — US disclosed
US-20050282817-A1 4-(3-Phenyl-3-carbocycloylpropyl)-1-phenyl- or pyridylpiperazine derivatives: 1-(2-methoxyphenyl)-4-[3-(benzoyl)-3-(phenyl)propyl]piperazine oxalate; serotonin receptor antagonists; obesity NOKIA CORPORATION (FI) 2005-12-22 — — US disclosed
US-6946579-B2 Arylpiperazines having activity at the serotonin 1A receptor ELI LILLY AND COMPANY (US) 2005-09-20 — — US disclosed
EP-0924205-B1 Arylpiperazines having activity at the serotonin 1a receptor LILLY CO ELI (US) 2005-05-25 — — EP disclosed
EP-1514559-A1 Arylpiperazines having activity at the serotonin 1a receptor Eli Lilly and Company (US) 2005-03-16 — — EP disclosed
US-20040049083-A1 3-carbocycle carbonyl-3-phenylpropionaldehyde intermediates and preparation by alkylating a carbocycle benzyl ketone with an allyl halide and oxidizing the product ELI LILLY AND COMPANY 2004-03-11 — — US disclosed
US-20040044009-A1 Drug abuse; cental nervous system disorders; cognition activators ELI LILLY AND COMPANY 2004-03-04 — — US disclosed
US-6660859-B2 Arylpiperzine derivatives are useful for treatment of anxiety, depression, hypertension, cognitive disorders, sexual dysfunction, brain trauma, memory loss, eating disorders, obesity, substance abuse, and obsessive-compulsive diseases ELI LILLY AND COMPANY 2003-12-09 — — US disclosed
US-6645967-B2 Administering to a patient a serotonin reuptake inhibitor in combination with an effective amount of arylpiperazines having activity at the serotonin 1A receptor ELI LILLY AND COMPANY 2003-11-11 — — US disclosed
US-20030027831-A1 Arylpiperzine derivatives are useful for treatment of anxiety, depression, hypertension, cognitive disorders, sexual dysfunction, brain trauma, memory loss, eating disorders, obesity, substance abuse, and obsessive-compulsive diseases XU YAO-CHANG (US) 2003-02-06 — — US disclosed
US-6514976-B2 For therapy of symptoms caused by withdrawal or partial withdrawal from the use of tobacco or of nicotine; for therapy of anxiety ELI LILLY AND COMPANY 2003-02-04 — — US disclosed
US-20030008879-A1 For therapy of symptoms caused by withdrawal or partial withdrawal from the use of tobacco or of nicotine; for therapy of anxiety KOHLMAN DANIEL TIMOTHY (US) 2003-01-09 — — US disclosed
US-20020169170-A1 Administering to a patient a serotonin reuptake inhibitor in combination with an effective amount of arylpiperazines having activity at the serotonin 1A receptor GODFREY ALEXANDER GLENN (US) 2002-11-14 — — US disclosed
US-6358958-B2 MONO OR BICYCLIC ARYL OR HETERARYL SUBSTITUTED PIPERIZIN DERIVATIVES USEFUL FOR TREATING ANXIETY, DEPRESSION, HYPERTENSION, COGNITIVE DISORDER, PSYCHOSIS, SLEEP DISORDER, BRAIN TRAUMA, MEMORY LOSS, DRUG ABUSE, MIGRAINE AND OBESITY ELI LILLY AND COMPANY 2002-03-19 — — US disclosed
US-20010003749-A1 Mono or bicyclic aryl or heteraryl substituted piperizin derivatives useful for treating anxiety, depression, hypertension, cognitive disorder, psychosis, sleep disorder, brain trauma, memory loss, drug abuse, migraine and obesity GODFREY ALEXANDER GLENN (US) 2001-06-14 — — US disclosed
US-6239135-B1 ALLEVIATING THE SYMPTOMS OF NICOTINE AND TOBACCO WITHDRAWAL. ELI LILLY AND COMPANY 2001-05-29 — — US disclosed
WO-1999031077-A1 ARYLPIPERAZINES HAVING ACTIVITY AT THE SEROTONIN 1A RECEPTOR ELI LILLY AND COMPANY (US) 1999-06-24 — — WO disclosed
EP-0924205-A1 Arylpiperazines having activity at the serotonin 1a receptor ELI LILLY AND COMPANY (US) 1999-06-23 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030027831-A1 Arylpiperzine derivatives are useful for treatment of anxiety, depression, hypertension, cognitive disorders, sexual dysfunction, brain trauma, memory loss, eating disorders, obesity, substance abuse, and obsessive-compulsive diseases HTR2C, HTR3C, HCRTR1 HPGD 2036/4885RAB9A 2806/4885CYP3A4 1465/4885
US-20060009464-A1 Arylpiperazines having activity at the serotonin 1A receptor HTR1A, HTR2A, HTR3A HPGD 1099/4885RAB9A 2936/4885CYP3A4 678/4885
US-20040049083-A1 3-carbocycle carbonyl-3-phenylpropionaldehyde intermediates and preparation by alkylating a carbocycle benzyl ketone with an allyl halide and oxidizing the product HTR3C, HTR3A, HTR2C HPGD 492/4885RAB9A 4542/4885CYP3A4 252/4885
US-20010003749-A1 Mono or bicyclic aryl or heteraryl substituted piperizin derivatives useful for treating anxiety, depression, hypertension, cognitive disorder, psychosis, sleep disorder, brain trauma, memory loss, drug abuse, migraine and obesity HTR1A, HTR2C, HTR3B HPGD 560/4885RAB9A 3759/4885CYP3A4 702/4885
US-20020169170-A1 Administering to a patient a serotonin reuptake inhibitor in combination with an effective amount of arylpiperazines having activity at the serotonin 1A receptor HTR3C, TPH1, HTR6 HPGD 1881/4885RAB9A 3262/4885CYP3A4 530/4885
US-20030008879-A1 For therapy of symptoms caused by withdrawal or partial withdrawal from the use of tobacco or of nicotine; for therapy of anxiety HTR1A, HTR1B, HTR3A HPGD 422/4885RAB9A 3988/4885CYP3A4 1474/4885
US-20040044009-A1 Drug abuse; cental nervous system disorders; cognition activators HTR6, HTR1A, CNR1 HPGD 2071/4885RAB9A 3956/4885CYP3A4 943/4885
US-20050282817-A1 4-(3-Phenyl-3-carbocycloylpropyl)-1-phenyl- or pyridylpiperazine derivatives: 1-(2-methoxyphenyl)-4-[3-(benzoyl)-3-(phenyl)propyl]piperazine oxalate; serotonin receptor antagonists; obesity HTR3A, HTR3C, HTR1A HPGD 1368/4885RAB9A 4601/4885CYP3A4 399/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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