SCHEMBL7319610

SCHEMBL7319610

CN(C)CC(Cl)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.64
HRH1 P35367 4/20 0.64
TDP1 Q9NUW8 1/20 0.61
SLC6A2 P23975 8/20 0.50
SLC6A4 P31645 8/20 0.50
SLC6A3 Q01959 7/20 0.50
AOC3 Q16853 2/20 0.45
TSHR P16473 2/20 0.44
CYP2D6 P10635 4/20 0.44
CYP3A4 P08684 2/20 0.44
KCNH2 Q12809 3/20 0.42
LMNA P02545 2/20 0.42
CHRM2 P08172 2/20 0.42
SCN1A P35498 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN3A Q9NY46 2/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 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
Hydrochloric Acid SCHEMBL27285239 0.98 TDP1 (0.65) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL4301966 0.78 HTR2A (0.67) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL9051157 0.78 SIGMAR1 (0.48) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL7326678 0.78 HTR2A (0.67) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL25256282 0.78 SLC6A2 (0.52) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL2252400 0.78 HTR2A (0.44) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL25852267 0.78 AOC3 (0.49) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL31664264 0.78 SLC6A2 (0.52) HTR2AHRH1TDP1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4374402 0.77 HTR2A (0.64) HTR2AHRH1TDP1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL10915686 0.77 TDP1 (0.41) HTR2AHRH1TDP1SLC6A2SLC6A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116761796-A Aryl derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2023-09-15 CN disclosed
WO-2022112345-A1 ARYL DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed
US-20170217905-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-08-03 US disclosed
US-9662330-B2 Aminopyrimidine derivatives for use as modulators of kinase activity MERCK PATENT GMBH (DE) 2017-05-30 US disclosed
US-20160184308-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-06-30 US disclosed
US-9321760-B2 Aminopyrimidine derivatives for use as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-04-26 US disclosed
US-20150126484-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2015-05-07 US disclosed
CN-1027262-C Benzazepine and benzothiazepine derivatives E R SQUID & SONS INC (US) 1995-01-04 CN disclosed
US-4902684-A Benzazepine and benzothiazepine derivatives E. R. SQUIBB & SONS, INC. (US) 1990-02-20 US disclosed
CN-1039585-A BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES SQUIBB & SONS INC (US) 1990-02-14 CN disclosed
WO-1989012633-A1 BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES E.R. SQUIBB & SONS, INC. (US) 1989-12-28 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 (3 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-20170217905-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY CDK6, TK1, MAP3K19 HTR2A 2982/4885HRH1 1245/4885TDP1 445/4885
US-20150126484-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY CDK6, TK1, MAP3K19 HTR2A 2982/4885HRH1 1245/4885TDP1 445/4885
US-20160184308-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY CDK6, TK1, MAP3K19 HTR2A 2982/4885HRH1 1245/4885TDP1 445/4885

“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.