SCHEMBL6474205

SCHEMBL6474205

C[C@@H]1C(=O)NCCc2c1[nH]c1cc(F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.43
HTR2A P28223 17/20 0.43
MAPKAPK2 P49137 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PSMD14 O00487 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HTR2B P41595 4/20 0.40
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR1D P28221 1/20 0.39
HTR7 P34969 1/20 0.39
HTR5A P47898 1/20 0.39
HTR6 P50406 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL6474211 1.00 HTR2C (0.43) HTR2CHTR2AMAPKAPK2KDM4EPSMD14
SCHEMBL6475242 1.00 HTR2C (0.43) HTR2CHTR2AMAPKAPK2KDM4EPSMD14
SCHEMBL6475131 0.77 HTR2A (0.56) HTR2CHTR2AMAPKAPK2KDM4EPSMD14
SCHEMBL6475138 0.77 HTR2A (0.56) HTR2CHTR2AMAPKAPK2KDM4EPSMD14
SCHEMBL6482928 0.77 HTR2A (0.56) HTR2CHTR2AMAPKAPK2KDM4EPSMD14
SCHEMBL23116654 0.72 HTR2A (0.58) HTR2CHTR2AMAPKAPK2KDM4EPSMD14
SCHEMBL6480976 0.71 PARP1 (0.41) HTR2CHTR2AKDM4EADRA2CHTR7
SCHEMBL1800647 0.71 MAPKAPK2 (0.81) HTR2CHTR2AMAPKAPK2HTR2B
Hydrochloric Acid SCHEMBL6355146 0.70 MAPKAPK2 (0.79) HTR2CHTR2AMAPKAPK2HTR2B
SCHEMBL18669409 0.69 HTR2A (0.59) HTR2CHTR2AMAPKAPK2KDM4EPSMD14

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-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

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 HTR2C 5/4885HTR2A 11/4885MAPKAPK2 4506/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HTR2C 6/4885HTR2A 9/4885MAPKAPK2 4461/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HTR2C 5/4885HTR2A 11/4885MAPKAPK2 4506/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HTR2C 6/4885HTR2A 9/4885MAPKAPK2 4461/4885

“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.