SCHEMBL20181968

SCHEMBL20181968

CCCCCCC(C)(CCCCCC)Cc1ncc(Cl)s1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 17/20 0.34
TRPA1 O75762 4/20 0.34
TRPM4 Q8TD43 1/20 0.34
CNR2 P34972 1/20 0.31

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
SCHEMBL22898336 1.00 TRPM5 (0.34) TRPM5TRPA1TRPM4CNR2
SCHEMBL22898318 0.98 TRPM5 (0.35) TRPM5TRPA1TRPM4
SCHEMBL19386714 0.78 TRPM5 (0.35) TRPM5TRPA1TRPM4
SCHEMBL9917320 0.76 TRPM5 (0.39) TRPM5TRPA1TRPM4
SCHEMBL22066242 0.75 SMPD1 (0.32)
SCHEMBL21720251 0.74 SMPD1 (0.31)
SCHEMBL18994862 0.72 HTT (0.39) CNR2
SCHEMBL21185908 0.71 PLA2G4A (0.33) CNR2
SCHEMBL22898337 0.71 HTT (0.38) CNR2
SCHEMBL22898339 0.70 HTT (0.37) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-05-18 US disclosed
US-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2018-05-24 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 (2 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-20180141961-A1 Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof APRT, GART, PNP TRPM5 2492/4885TRPA1 531/4885TRPM4 3349/4885
US-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof APRT, GART, PNP TRPM5 2492/4885TRPA1 531/4885TRPM4 3349/4885

“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.