SCHEMBL23914588

SCHEMBL23914588

Nc1cc(C(F)(F)F)c(OCC2CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
TRPC6 Q9Y210 4/20 0.40
CNR2 P34972 1/20 0.39
HPGD P15428 1/20 0.38
MTOR P42345 6/20 0.38
PIK3CA P42336 5/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
CDK2 P24941 1/20 0.36
XDH P47989 1/20 0.36
DHFR P00374 1/20 0.36
MCHR1 Q99705 2/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 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
SCHEMBL23915569 0.80 TRPA1 (0.41) TRPA1TRPM8TRPV1CNR2HPGD
SCHEMBL11565480 0.77 HPGD (0.46) TRPA1TRPM8TRPV1HPGDHTR2A
SCHEMBL23909109 0.76 TRPC6 (0.42) TRPC6CNR2HTR2CCDK2DHFR
SCHEMBL23909106 0.74 XDH (0.46) TRPC6XDH
SCHEMBL21940549 0.73 CNR2 (0.39) TRPA1TRPM8TRPV1CNR2CDK2
SCHEMBL22023311 0.71 XDH (0.44) TRPC6CDK2XDH
SCHEMBL29596850 0.71 XDH (0.44) TRPC6CDK2XDH
SCHEMBL5565701 0.70 ALDH1A1 (0.38) TRPA1TRPM8TRPV1HPGDHTR2A
SCHEMBL23966851 0.70 TRPA1 (0.37) TRPA1TRPM8TRPV1CNR2HPGD
SCHEMBL1920066 0.69 HPGD (0.47) TRPA1TRPM8TRPV1HPGDHTR2A

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 TRPA1 656/4885TRPM8 1596/4885TRPV1 316/4885

“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.