SCHEMBL19378992

SCHEMBL19378992

NC(=O)N1CCc2c(-c3cccc(C(F)(F)F)c3)cccc2C1c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.43
ELANE P08246 2/20 0.39
SCN9A Q15858 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LHCGR P22888 1/20 0.37
DGAT2 Q96PD7 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
SCN5A Q14524 1/20 0.36
UCHL1 P09936 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC9A1 P19634 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
SCHEMBL17559854 0.76 SCN9A (0.40) SCN9ADGAT2
SCHEMBL30593264 0.73 ESR1 (0.47) TRPM8CYP3A4LHCGR
SCHEMBL2729027 0.68 HDAC1 (0.48) TRPM8
SCHEMBL19378993 0.67 HTR2A (0.53) TRPM8SCN9ACYP3A4DGAT2SCN5A
SCHEMBL31070639 0.66 TRPM8 (0.43) TRPM8TSHRMAPK1LHCGR
SCHEMBL2390969 0.65 NAMPT (0.59) CYP3A4CYP2C9SLC9A1
SCHEMBL3961127 0.65 TRPM8 (0.48) TRPM8KDM4ECYP1A2CYP3A4TSHR
SCHEMBL34469496 0.64 PARP1 (0.54) SCN9AKDM4ETSHRSLC9A1
SCHEMBL3061888 0.64 TRPM8 (0.70) TRPM8
SCHEMBL2390771 0.63 NAMPT (0.54) CYP2C9SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273965-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2017-09-28 US claimed

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-20170273965-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 DGAT2, DGAT1, MOGAT2 TRPM8 3609/4885ELANE 4105/4885SCN9A 3666/4885

“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.