SCHEMBL1691190

SCHEMBL1691190

CNC(=O)c1ccnc(NC(=O)N2CCC3(CC2)Cc2ccccc2O3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 2/20 0.48
▸ EPHX2 P34913 7/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ EPHX1 P07099 3/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ CCR1 P32246 3/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ PIP5K1C O60331 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ CACNA1C Q13936 1/20 0.38

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
SCHEMBL1690878 0.93 TRPM8 (0.59) TRPM8EPHX2EPHX1PIP5K1CPIK3CA
SCHEMBL1690972 0.88 TRPM8 (0.48) TRPM8EPHX2CCR1NAMPT
SCHEMBL1691279 0.88 TRPM8 (0.42) TRPM8EPHX2CCR1NAMPTPIP5K1C
SCHEMBL1691384 0.86 TRPM8 (0.50) TRPM8PIP5K1CPIK3CA
SCHEMBL1691184 0.84 CYP3A4 (0.44) NAMPTPIP5K1CPIK3CA
SCHEMBL1690859 0.83 TRPM8 (0.57) TRPM8EPHX2EPHX1CCR1NAMPT
SCHEMBL1691370 0.81 RAF1 (0.43) TRPM8EPHX2HDAC3HDAC4HDAC1
SCHEMBL1690806 0.81 CYP3A4 (0.41) NAMPTPIP5K1CPIK3CA
SCHEMBL1691381 0.81 TRPM8 (0.59) TRPM8PIP5K1CPIK3CA
SCHEMBL538766 0.81 TRPM8 (0.48) TRPM8EPHX2EPHX1NAMPTPIP5K1C

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 1824/4885EPHX2 1662/4885HDAC3 51/4885

“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.

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