SCHEMBL6475429

SCHEMBL6475429

Clc1ccccc1-c1cccc2[nH]c3c(c12)CCNCC3

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
PARP1 P09874 9/20 0.52
HTR7 P34969 2/20 0.51
TAAR1 Q96RJ0 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HTR5A P47898 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
PNMT P11086 1/20 0.36

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
SCHEMBL6474139 0.87 HTR2A (0.46) HTR2AHTR2CPARP1HTR7TAAR1
Hydrochloric Acid SCHEMBL6474376 0.85 HTR2A (0.45) HTR2AHTR2CPARP1HTR7TAAR1
SCHEMBL7225640 0.83 HTR2A (0.53) HTR2AHTR2CPARP1HTR7TAAR1
SCHEMBL6475068 0.83 HTR2A (0.53) HTR2AHTR2CPARP1HTR7TAAR1
SCHEMBL6475419 0.82 HTR2A (0.55) HTR2AHTR2CPARP1HTR7TAAR1
Hydrochloric Acid SCHEMBL6474628 0.82 HTR2A (0.51) HTR2AHTR2CPARP1HTR7TAAR1
Hydrochloric Acid SCHEMBL6474657 0.82 HTR2A (0.51) HTR2AHTR2CPARP1HTR7TAAR1
Hydrochloric Acid SCHEMBL6474048 0.81 HTR2A (0.57) HTR2AHTR2CPARP1TAAR1ALDH1A1
Hydrochloric Acid SCHEMBL6482040 0.81 HTR2C (0.47) HTR2AHTR2CPARP1HTR7TAAR1
Hydrochloric Acid SCHEMBL6474278 0.81 HTR2C (0.47) HTR2AHTR2CPARP1HTR7TAAR1

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 HTR2A 11/4885HTR2C 5/4885PARP1 2016/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HTR2A 9/4885HTR2C 6/4885PARP1 1780/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HTR2A 11/4885HTR2C 5/4885PARP1 2016/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HTR2A 9/4885HTR2C 6/4885PARP1 1780/4885

“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.