SCHEMBL2158332

SCHEMBL2158332

CC(C)N(C(=O)c1ccc(Cl)cc1)c1csc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.49
CNR1 P21554 1/20 0.46
MLYCD O95822 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
GRM1 Q13255 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
UTS2R Q9UKP6 1/20 0.36

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
SCHEMBL2157677 0.90 ACLY (0.41) HTR2CCNR1MLYCDLMNAHSD17B1
SCHEMBL21067761 0.89 MLYCD (0.46) HTR2CMLYCDHTTNPSR1CES2
SCHEMBL2157924 0.88 GRM1 (0.49) HTR2CMLYCDNPSR1TRPM8GRM1
SCHEMBL2158295 0.85 CYP3A4 (0.41) CNR1TSHRMEN1KMT2A
SCHEMBL2157407 0.85 MLYCD (0.43) HTR2CMLYCDHTTNPSR1GRM1
SCHEMBL2158030 0.84 CNR1 (0.52) CNR1LMNAHTTGRM1HSD17B1
SCHEMBL2157949 0.83 POLB (0.45) HTR2CCNR1MEN1KMT2A
SCHEMBL2158049 0.79 HSD11B1 (0.38) HTR2CMLYCDNPSR1TRPM8HSD17B1
SCHEMBL2158071 0.77 HSD17B1 (0.43) CNR1LMNATSHRHTTNPSR1
SCHEMBL2157456 0.76 HTR2C (0.43) HTR2CLMNATSHRMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 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 (1 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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS HTR2C 4142/4885CNR1 3333/4885MLYCD 2373/4885

“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.