SCHEMBL5375422

SCHEMBL5375422

O=CCC(C(=O)C1CCCCCC1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CYP2C19 P33261 1/20 0.41
EPHX2 P34913 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
BCHE P06276 3/20 0.39

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 1.00 LMNA (0.45) LMNACNR1CNR2CYP2C19EPHX2
SCHEMBL5389844 0.98 LMNA (0.46) LMNACNR1CNR2CYP2C19EPHX2
SCHEMBL8761552 0.81 SLC6A3 (0.44) LMNA
SCHEMBL5861434 0.80 KMT2A (0.40) EPHX2HPGDKMT2AMEN1
SCHEMBL6856741 0.79 SMN1; SMN2 (0.41) LMNACYP2C19HPGDKDM4ERECQL
SCHEMBL6856652 0.79 SMN1; SMN2 (0.41) LMNACYP2C19HPGDKDM4ERECQL
SCHEMBL10301488 0.78 ALDH1A1 (0.52) LMNACNR1CNR2CYP2C19HPGD
SCHEMBL6856654 0.77 CYP3A4 (0.39) LMNACYP2C19HPGDKDM4ERECQL
SCHEMBL6195187 0.77 ATM (0.39) CNR2EPHX2KDM4ERECQLKMT2A
SCHEMBL5370048 0.77 LMNA (0.43) LMNACNR1CNR2CYP2C19HPGD

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 2749/4885CNR1 15/4885CNR2 39/4885
US-20060009464-A1 Arylpiperazines having activity at the serotonin 1A receptor HTR1A, HTR2A, HTR3A LMNA 4610/4885CNR1 21/4885CNR2 28/4885
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 3630/4885CNR1 13/4885CNR2 18/4885
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 1376/4885CNR1 23/4885CNR2 27/4885
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 2780/4885CNR1 10/4885CNR2 29/4885
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 4036/4885CNR1 27/4885CNR2 38/4885
US-20040044009-A1 Drug abuse; cental nervous system disorders; cognition activators HTR6, HTR1A, CNR1 LMNA 4647/4885CNR1 3/4885CNR2 17/4885
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 4315/4885CNR1 42/4885CNR2 48/4885

“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.