SCHEMBL6474632

SCHEMBL6474632

Clc1cc2c3c(n(CCOc4ccc5cccnc5c4)c2cc1Cl)CCNCC3

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.42
CYP3A4 P08684 3/20 0.41
DRD2 P14416 3/20 0.37
PDE10A Q9Y233 1/20 0.36
MCHR1 Q99705 8/20 0.36
HRH3 Q9Y5N1 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL6480826 0.87 DRD3 (0.42) DRD3CYP3A4DRD2PDE10AMCHR1
SCHEMBL6481167 0.86 DRD3 (0.46) DRD3CYP3A4DRD2PDE10AHRH3
SCHEMBL6474621 0.86 DRD3 (0.42) DRD3CYP3A4DRD2PDE10AMCHR1
SCHEMBL6474563 0.85 DRD3 (0.45) DRD3CYP3A4DRD2PDE10AMCHR1
SCHEMBL6482908 0.83 DRD3 (0.42) DRD3CYP3A4DRD2PDE10AMCHR1
SCHEMBL6475813 0.82 HTR1A (0.40) CYP3A4HTR1AHTR2A
SCHEMBL6481204 0.82 RAB9A (0.44) CYP3A4CYP1A2
SCHEMBL6786176 0.82 CYP3A4 (0.48) CYP3A4MCHR1HTR2AHTR6
Hydrochloric Acid SCHEMBL6482637 0.81 CYP3A4 (0.47) CYP3A4MCHR1HTR2AHTR6
Hydrochloric Acid SCHEMBL6475181 0.81 CYP3A4 (0.57) CYP3A4MCHR1HRH3HTR6

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 10 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-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

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 DRD3 135/4885CYP3A4 286/4885DRD2 53/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 DRD3 129/4885CYP3A4 268/4885DRD2 46/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E DRD3 135/4885CYP3A4 286/4885DRD2 53/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 DRD3 129/4885CYP3A4 268/4885DRD2 46/4885

“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.