SCHEMBL5389844

SCHEMBL5389844

O=CCC(C(=O)C1CCCC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CYP2C19 P33261 2/20 0.42
RECQL P46063 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KMT2A Q03164 2/20 0.39
EPHX2 P34913 1/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
CHRM1 P11229 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37

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
SCHEMBL5378919 0.98 LMNA (0.45) LMNACYP2C19RECQLCNR1CNR2
SCHEMBL5375422 0.98 LMNA (0.45) LMNACYP2C19RECQLCNR1CNR2
SCHEMBL8761552 0.79 SLC6A3 (0.44) LMNACYP3A4
SCHEMBL6856654 0.79 CYP3A4 (0.39) LMNACYP2C19RECQLKMT2AHPGD
SCHEMBL5861434 0.79 KMT2A (0.40) KMT2AEPHX2HPGDRAB9AMEN1
SCHEMBL6856652 0.77 SMN1; SMN2 (0.41) LMNACYP2C19RECQLKMT2AHPGD
SCHEMBL6856741 0.77 SMN1; SMN2 (0.41) LMNACYP2C19RECQLKMT2AHPGD
SCHEMBL10301488 0.76 ALDH1A1 (0.52) LMNACYP2C19CNR1CNR2KMT2A
SCHEMBL3308217 0.76 CYP2C19 (0.69) LMNACYP2C19
SCHEMBL6195187 0.76 ATM (0.39) RECQLCNR2KMT2AEPHX2KDM4E

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 LMNA 2749/4885CYP2C19 410/4885RECQL 3294/4885
US-20060009464-A1 Arylpiperazines having activity at the serotonin 1A receptor HTR1A, HTR2A, HTR3A LMNA 4610/4885CYP2C19 588/4885RECQL 4366/4885
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 LMNA 3630/4885CYP2C19 274/4885RECQL 4818/4885
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 LMNA 1376/4885CYP2C19 293/4885RECQL 3066/4885
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 LMNA 2780/4885CYP2C19 421/4885RECQL 2848/4885
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 LMNA 4036/4885CYP2C19 755/4885RECQL 4118/4885
US-20040044009-A1 Drug abuse; cental nervous system disorders; cognition activators HTR6, HTR1A, CNR1 LMNA 4647/4885CYP2C19 1032/4885RECQL 4617/4885
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 LMNA 4315/4885CYP2C19 348/4885RECQL 4596/4885

“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.