SCHEMBL6474135

SCHEMBL6474135

C[C@H]1C(=O)NCCc2c1[nH]c1cccc(Cl)c21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.46
MAPKAPK2 P49137 1/20 0.39
HTT P42858 1/20 0.38
PTK2B Q14289 1/20 0.38
MAPK10 P53779 1/20 0.37
RIPK1 Q13546 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
HTR2C P28335 1/20 0.36
CHEK1 O14757 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL6482922 1.00 PARP1 (0.46) PARP1MAPKAPK2HTTPTK2BMAPK10
SCHEMBL6474143 1.00 PARP1 (0.46) PARP1MAPKAPK2HTTPTK2BMAPK10
SCHEMBL6481823 0.77 HTR2C (0.58) PARP1MAPKAPK2MAPK10RIPK1HTR2C
SCHEMBL6481821 0.77 HTR2C (0.58) PARP1MAPKAPK2MAPK10RIPK1HTR2C
SCHEMBL6484273 0.77 HTR2C (0.58) PARP1MAPKAPK2MAPK10RIPK1HTR2C
SCHEMBL14921305 0.69 PRCP (0.43) MAPKAPK2HTR2C
SCHEMBL6474205 0.68 HTR2C (0.43) MAPKAPK2HTR2CMAPT
SCHEMBL3800011 0.68 HTR7 (0.54) MAPKAPK2HTR2CMAPT
SCHEMBL5137951 0.65 SIRT1 (0.64)
Trifluoroacetic Acid SCHEMBL23116668 0.64 MAPKAPK2 (0.42) MAPKAPK2HTR2C

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-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP 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
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 PARP1 2016/4885MAPKAPK2 4506/4885HTT 566/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 PARP1 1780/4885MAPKAPK2 4461/4885HTT 430/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E PARP1 2016/4885MAPKAPK2 4506/4885HTT 566/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 PARP1 1780/4885MAPKAPK2 4461/4885HTT 430/4885

“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.