SCHEMBL6475707

SCHEMBL6475707

O=C(O)N1CCc2[nH]c3cccc(-c4c(F)cccc4F)c3c2CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 6/20 0.45
▸ CCND1 P24385 6/20 0.45
▸ CTSK P43235 1/20 0.42
▸ TRPV1 Q8NER1 4/20 0.41
▸ BAZ2B Q9UIF8 2/20 0.40
▸ HTR5A P47898 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CFTR P13569 1/20 0.38
▸ GABRA3 P34903 1/20 0.37
▸ FAAH O00519 1/20 0.37

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
SCHEMBL6482451 0.84 PARP1 (0.44) CDK4CCND1CTSKTRPV1BAZ2B
SCHEMBL5376729 0.83 CDK4 (0.54) CDK4CCND1CTSKTRPV1FAAH
SCHEMBL21121029 0.83 CTSK (0.53) CDK4CCND1CTSKTRPV1BAZ2B
SCHEMBL6480705 0.81 CDK4 (0.56) CDK4CCND1GABRA3
SCHEMBL6481710 0.79 TRPV1 (0.45) CDK4CCND1TRPV1BAZ2BLMNA
SCHEMBL6475341 0.78 BAZ2B (0.49) CDK4CCND1TRPV1BAZ2B
SCHEMBL6482347 0.76 HTR2A (0.49) HTR5A
SCHEMBL6473823 0.74 CDK4 (0.52) CDK4CCND1TRPV1
SCHEMBL6482903 0.73 CDK4 (0.52) CDK4CCND1TRPV1
SCHEMBL7221453 0.73 MAPT (0.39) CDK4CCND1TRPV1BAZ2BLMNA

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 CDK4 2091/4885CCND1 2289/4885CTSK 4375/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 CDK4 2038/4885CCND1 2486/4885CTSK 4545/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E CDK4 2091/4885CCND1 2289/4885CTSK 4375/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 CDK4 2038/4885CCND1 2486/4885CTSK 4545/4885

“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.

Send feedback