SCHEMBL6475546

SCHEMBL6475546

O=C(O)N1CCc2[nH]c3ccccc3c2CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
LMNA P02545 1/20 0.66
BAZ2B Q9UIF8 1/20 0.66
TRPV1 Q8NER1 8/20 0.62
FAAH O00519 2/20 0.62
GPX4 P36969 1/20 0.61
CDK4 P11802 3/20 0.58
CCND1 P24385 3/20 0.58
TAAR1 Q96RJ0 1/20 0.56
GAA P10253 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
ATM Q13315 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL28468258 0.90 MAPT (0.77) MAPTLMNABAZ2BTRPV1FAAH
SCHEMBL969392 0.90 TRPV1 (0.72) MAPTLMNABAZ2BTRPV1FAAH
SCHEMBL6492381 0.87 CDK4 (0.63) MAPTLMNABAZ2BTRPV1FAAH
SCHEMBL28929350 0.81 SIGMAR1 (0.60) TRPV1FAAHGPX4
SCHEMBL3079170 0.80 MAPT (0.71) MAPTLMNABAZ2BCDK4CCND1
SCHEMBL6335099 0.80 CDK4 (0.76) TRPV1FAAHGPX4CDK4CCND1
SCHEMBL6474214 0.80 LMNA (0.60) MAPTLMNABAZ2BTRPV1FAAH
SCHEMBL6200573 0.80 HTR6 (0.57) MAPTLMNABAZ2BTRPV1
SCHEMBL14015615 0.79 MAPT (0.75) MAPTLMNABAZ2BGPX4TAAR1
SCHEMBL16462808 0.79 MAPT (0.75) MAPTLMNABAZ2BGPX4TAAR1

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 8 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
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

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 MAPT 2666/4885LMNA 4162/4885BAZ2B 3100/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 MAPT 2537/4885LMNA 4136/4885BAZ2B 3155/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E MAPT 2666/4885LMNA 4162/4885BAZ2B 3100/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 MAPT 2537/4885LMNA 4136/4885BAZ2B 3155/4885

“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.