SCHEMBL1691279

SCHEMBL1691279

CNC(=O)c1ccnc(NC(=O)N2CCC3(CC2)Cc2ccc(F)cc2O3)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 2/20 0.42
▸ HTR1F P30939 1/20 0.41
▸ CCR1 P32246 5/20 0.40
▸ NAMPT P43490 3/20 0.38
▸ S1PR2 O95136 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ PIP5K1C O60331 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ PIK3C3 Q8NEB9 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
SCHEMBL538766 0.93 TRPM8 (0.48) TRPM8HTR1FNAMPTS1PR2ABL1
SCHEMBL1690972 0.93 TRPM8 (0.48) TRPM8HTR1FCCR1NAMPTS1PR2
SCHEMBL1691370 0.90 RAF1 (0.43) TRPM8KCNH2EPHX2
Hydrochloric Acid SCHEMBL1691580 0.89 RAF1 (0.42) TRPM8KCNH2EPHX2
SCHEMBL1691190 0.88 TRPM8 (0.48) TRPM8CCR1NAMPTPIP5K1CPIK3CA
SCHEMBL1690859 0.88 TRPM8 (0.57) TRPM8HTR1FCCR1NAMPTS1PR2
SCHEMBL1690918 0.83 NAMPT (0.44) HTR1FNAMPTS1PR2ABL1CYP3A4
SCHEMBL1691029 0.83 TRPM8 (0.50) TRPM8HTR1FNAMPTABL1CYP3A4
SCHEMBL1691054 0.82 TRPM8 (0.48) TRPM8HTR1FABL1CYP3A4EPHX2
SCHEMBL1691561 0.81 NAMPT (0.42) HTR1FNAMPTS1PR2ABL1CYP3A4

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-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 — — US claimed
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 1824/4885HTR1F 3735/4885CCR1 4449/4885

“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