SCHEMBL1912694

SCHEMBL1912694

CNC(=O)N1CCC2(CCc3ccccc3O2)CC1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 6/20 0.73
▸ EPHX2 P34913 10/20 0.63
▸ EPHX1 P07099 5/20 0.57
▸ DRD2 P14416 2/20 0.52
▸ HTR2A P28223 2/20 0.52
▸ SIGMAR1 Q99720 1/20 0.51
▸ SCN5A Q14524 1/20 0.48
▸ ADRA1D P25100 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ CACNA1C Q13936 1/20 0.46
▸ HTR2C P28335 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45

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
SCHEMBL1912695 0.86 TRPM8 (0.68) TRPM8EPHX2EPHX1DRD2HTR2A
SCHEMBL29964837 0.83 TRPM8 (0.71) TRPM8EPHX2EPHX1DRD2HTR2A
SCHEMBL30724364 0.82 TRPM8 (0.66) TRPM8EPHX2EPHX1DRD2HTR2A
SCHEMBL22289581 0.81 TRPM8 (0.61) TRPM8EPHX2EPHX1DRD2HTR2A
SCHEMBL1690878 0.79 TRPM8 (0.59) TRPM8EPHX2EPHX1DRD2HTR2A
SCHEMBL1912699 0.79 EPHX2 (0.67) EPHX2EPHX1SIGMAR1SCN5AADRA1D
SCHEMBL20616667 0.79 TRPM8 (0.59) TRPM8EPHX2EPHX1DRD2HTR2A
SCHEMBL1912702 0.78 TRPM8 (0.61) TRPM8EPHX2EPHX1DRD2HTR2A
SCHEMBL2345904 0.78 EPHX2 (0.67) TRPM8EPHX2EPHX1DRD2HTR2A
SCHEMBL12695216 0.78 EPHX2 (0.73) TRPM8EPHX2EPHX1DRD2HTR2A

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-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 — — 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-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 TRPM8 1824/4885EPHX2 1662/4885EPHX1 1644/4885

“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.

Send feedback