SCHEMBL6484273

SCHEMBL6484273

C[C@@H]1CNCCc2c1[nH]c1cccc(Cl)c21

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.58
HTR2A P28223 14/20 0.44
HTR2B P41595 12/20 0.44
MAPK10 P53779 1/20 0.39
RIPK1 Q13546 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CNR1 P21554 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL6481821 1.00 HTR2C (0.58) HTR2CHTR2AHTR2BMAPK10RIPK1
SCHEMBL6481823 1.00 HTR2C (0.58) HTR2CHTR2AHTR2BMAPK10RIPK1
SCHEMBL6474135 0.77 PARP1 (0.46) HTR2CMAPK10RIPK1MAPKAPK2PARP1
SCHEMBL6474143 0.77 PARP1 (0.46) HTR2CMAPK10RIPK1MAPKAPK2PARP1
SCHEMBL6482922 0.77 PARP1 (0.46) HTR2CMAPK10RIPK1MAPKAPK2PARP1
SCHEMBL7074767 0.76 HTR7 (0.55) HTR2CHTR2AHTR2BMAPKAPK2
SCHEMBL3283555 0.74 HTR2C (1.00) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL3283064 0.74 HTR2C (1.00) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL3283579 0.74 HTR2C (1.00) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL12369410 0.73 NISCH (0.57) HTR2CHTR2AMAPK10RIPK1ADRA2A

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 HTR2C 5/4885HTR2A 11/4885HTR2B 16/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HTR2C 6/4885HTR2A 9/4885HTR2B 12/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HTR2C 5/4885HTR2A 11/4885HTR2B 16/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HTR2C 6/4885HTR2A 9/4885HTR2B 12/4885

“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.