SCHEMBL2164040

SCHEMBL2164040

CCN(CC)N=Nc1c(C#C[Si](C)(C)C)c(F)cc(C(C)=O)c1-c1cccc(F)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MAOB P27338 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA4 P48058 1/20 0.30

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
SCHEMBL2164035 1.00 TRPM8 (0.31) TRPM8CA1CA2MAOBGRIA2
SCHEMBL2163430 0.86 MAOB (0.32) TRPM8MAOBGRIA2GRIA4
SCHEMBL2163435 0.86 MAOB (0.32) TRPM8MAOBGRIA2GRIA4
SCHEMBL2164891 0.81 MRGPRX4 (0.33) TRPM8CA1CA2
SCHEMBL2164887 0.81 MRGPRX4 (0.33) TRPM8CA1CA2
SCHEMBL2164735 0.79 GRIA2 (0.31) TRPM8MAOBGRIA2GRIA4
SCHEMBL2164739 0.79 GRIA2 (0.31) TRPM8MAOBGRIA2GRIA4
SCHEMBL2015516 0.79 TRPM8 (0.36) TRPM8MAOB
SCHEMBL2013162 0.75 FBP1 (0.36) TRPM8MAOB
SCHEMBL2163698 0.72 ALDH1A1 (0.32)

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-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 TRPM8 4741/4885CA1 4869/4885CA2 4602/4885

“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.