SCHEMBL19378993

SCHEMBL19378993

O=C(Nc1cccnc1)N1CCc2c(cccc2-c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.53
HTR2C P28335 3/20 0.53
GPR142 Q7Z601 1/20 0.49
TRPV1 Q8NER1 3/20 0.48
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
TRPM8 Q7Z2W7 2/20 0.47
PHGDH O43175 1/20 0.46
SCN9A Q15858 2/20 0.46
SCN5A Q14524 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
DGAT2 Q96PD7 1/20 0.46
FAAH O00519 1/20 0.46

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
SCHEMBL21183033 0.80 DGAT2 (0.61) DGAT2
SCHEMBL17010302 0.79 ABHD6 (0.56) SCN9ADGAT2
SCHEMBL17559852 0.77 DGAT2 (0.54) SCN9ADGAT2
SCHEMBL31742199 0.76 SCN9A (0.49) HTR2AHTR2CTRPV1TRPM8SCN9A
SCHEMBL31742024 0.76 SCN9A (0.49) HTR2AHTR2CTRPV1TRPM8SCN9A
SCHEMBL17021263 0.74 UCHL1 (0.58) SCN9ASCN5ADGAT2
SCHEMBL29739756 0.74 UCHL1 (0.58) SCN9ASCN5ADGAT2
SCHEMBL3766404 0.71 MAPT (0.59) TRPV1KITPHGDHFAAH
SCHEMBL2804159 0.71 TRPV1 (0.49) GPR142TRPV1PDGFRBDGAT2FAAH
Acetic Acid SCHEMBL27920454 0.71 RAB9A (0.70) HTR2CPDGFRB

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 HTR2A 1613/4885HTR2C 1608/4885GPR142 677/4885

“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.