SCHEMBL6475419

SCHEMBL6475419

c1ccc(-c2cccc3[nH]c4c(c23)CCNCC4)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.55
HTR2C P28335 1/20 0.55
PARP1 P09874 7/20 0.50
PRCP P42785 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HTR7 P34969 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTR5A P47898 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
PLK4 O00444 1/20 0.41
MAPK9 P45984 1/20 0.41
LIMK1 P53667 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
AKT3 Q9Y243 1/20 0.41

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
Hydrochloric Acid SCHEMBL6484759 0.96 HTR2A (0.51) HTR2AHTR2CPARP1PRCPTAAR1
Hydrochloric Acid SCHEMBL6475377 0.90 HTR2A (0.49) HTR2AHTR2CPARP1PRCPTAAR1
SCHEMBL11358107 0.90 TAAR1 (0.55) HTR2AHTR2CPARP1PRCPTAAR1
SCHEMBL7070787 0.87 HTR2A (0.48) HTR2AHTR2CPARP1TAAR1KDM4E
SCHEMBL6474333 0.87 HTR2A (0.48) HTR2AHTR2CPARP1TAAR1
Hydrochloric Acid SCHEMBL6474973 0.87 HTR2A (0.46) HTR2AHTR2CPARP1PRCPTAAR1
Hydrochloric Acid SCHEMBL6474278 0.86 HTR2C (0.47) HTR2AHTR2CPARP1TAAR1HTR7
Hydrochloric Acid SCHEMBL6482040 0.86 HTR2C (0.47) HTR2AHTR2CPARP1TAAR1HTR7
Hydrochloric Acid SCHEMBL6483339 0.85 PARP1 (0.47) HTR2AHTR2CPARP1TAAR1KDM4E
SCHEMBL6482046 0.85 HTR7 (0.52) HTR2AHTR2CPARP1TAAR1HTR7

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-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE 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 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.