SCHEMBL6481513

SCHEMBL6481513

CC(C)(C)OC(=O)N1CCc2[nH]c3ccc(-c4c(F)cccc4F)cc3c2CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 4/20 0.46
▸ TRPV1 Q8NER1 5/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ BRD3 Q15059 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CDK4 P11802 4/20 0.43
▸ CCND1 P24385 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ F12 P00748 2/20 0.42

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
SCHEMBL6475341 0.84 BAZ2B (0.49) BAZ2BTRPV1CDK4CCND1
SCHEMBL5373313 0.81 BAZ2B (0.63) BAZ2BTRPV1SMN1; SMN2LMNAPABPC1
SCHEMBL6474229 0.81 BAZ2B (0.63) BAZ2BTRPV1SMN1; SMN2LMNAPABPC1
SCHEMBL31117582 0.81 BAZ2B (0.60) BAZ2BSMN1; SMN2LMNAPABPC1ATM
SCHEMBL6482451 0.81 PARP1 (0.44) BAZ2BTRPV1LMNAMAPTCDK4
SCHEMBL6474214 0.81 LMNA (0.60) BAZ2BTRPV1LMNAMAPTKMT2A
SCHEMBL31117573 0.80 LMNA (0.55) BAZ2BTRPV1SMN1; SMN2LMNAPABPC1
SCHEMBL31117526 0.79 SIRT2 (0.62) BAZ2BSMN1; SMN2LMNAPABPC1ATM
SCHEMBL5104575 0.78 BAZ2B (0.71) BAZ2BSMN1; SMN2LMNAPABPC1ATM
SCHEMBL21588367 0.78 BAZ2B (0.58) BAZ2BTRPV1SMN1; SMN2LMNAPABPC1

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-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-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 BAZ2B 3100/4885TRPV1 300/4885SMN1; SMN2 1296/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 BAZ2B 3155/4885TRPV1 318/4885SMN1; SMN2 1106/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E BAZ2B 3100/4885TRPV1 300/4885SMN1; SMN2 1296/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 BAZ2B 3155/4885TRPV1 318/4885SMN1; SMN2 1106/4885

“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.

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