SCHEMBL6474428

SCHEMBL6474428

O=C(c1ccccc1)N1CCc2[nH]c3cccc(-c4ccc(Cl)cc4)c3c2CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.53
BCR P11274 3/20 0.53
CDK4 P11802 13/20 0.49
CCND1 P24385 13/20 0.49
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
ABCG2 Q9UNQ0 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
SCHEMBL6473823 0.92 CDK4 (0.52) CDK4CCND1TRPV1
SCHEMBL6474452 0.90 CDK4 (0.50) CDK4CCND1TRPV1ABCG2
SCHEMBL6475367 0.87 CDK4 (0.44) ABL1BCRCDK4CCND1
SCHEMBL6481133 0.87 ABL1 (0.43) ABL1BCRCDK4CCND1ALDH1A1
SCHEMBL6482903 0.84 CDK4 (0.52) ABL1BCRCDK4CCND1TRPV1
SCHEMBL6474174 0.84 CDK4 (0.45) CDK4CCND1ALDH1A1LMNAMAPT
SCHEMBL6480705 0.83 CDK4 (0.56) CDK4CCND1ABCG2
SCHEMBL6481795 0.80 CDK4 (0.44) CDK4CCND1ALDH1A1MEN1KMT2A
SCHEMBL6480610 0.80 CDK4 (0.58) ABL1BCRCDK4CCND1ALDH1A1
SCHEMBL6473473 0.80 LMNA (0.44) CDK4CCND1ALDH1A1LMNAMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903090-B2 Such as 10-(2-ethoxyphenyl)-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole; for treatment of anxiety, depression, schizophrenia, epilepsy, migraine, Alzheimers disease, sleep disorders, obesity, stress related diseases, and/or drug withdrawal PFIZER (US) 2005-06-07 US disclosed
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US disclosed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US disclosed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US disclosed
US-6586421-B2 For therapy of central nervous system, including diseases, disorders, and conditions related to, such as anxiety, depression, hypertension, migraine, obesity, compulsive disorders, schizophrenia, autism, neurodegenerative disorders PHARMACIA & UPJOHN COMPANY 2003-07-01 US disclosed
US-6583135-B2 Treating central nervous system disorders wherein modulation of the activity of serotonin receptors (5-HT) is desired (e.g. anxiety, depression and obesity). PHARMACIA & UPJOHN COMPANY 2003-06-24 US disclosed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US disclosed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US disclosed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO disclosed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO 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 (4 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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E ABL1 591/4885BCR 2824/4885CDK4 2091/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 ABL1 554/4885BCR 2339/4885CDK4 2038/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E ABL1 591/4885BCR 2824/4885CDK4 2091/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 ABL1 554/4885BCR 2339/4885CDK4 2038/4885

“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.