SCHEMBL2628635

SCHEMBL2628635

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc(C#N)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.52
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
EPHX1 P07099 1/20 0.40
TRPV1 Q8NER1 4/20 0.40
MAPK1 P28482 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
P2RX4 Q99571 1/20 0.35
P2RX7 Q99572 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL2761757 0.88 TRPM8 (0.52) TRPM8EPHX1TRPV1P2RX4
SCHEMBL2628751 0.85 TRPM8 (0.56) TRPM8EPHX1TRPV1MAPK1
SCHEMBL15133478 0.84 TRPM8 (0.54) TRPM8EPHX1TRPV1MAPK1P2RX4
SCHEMBL2628644 0.84 TRPM8 (0.54) TRPM8EPHX1TRPV1MAPK1P2RX4
SCHEMBL2628759 0.84 TRPM8 (0.54) TRPM8EPHX1TRPV1MAPK1
SCHEMBL2628648 0.82 TRPM8 (0.69) TRPM8EPHX1TRPV1
SCHEMBL366880 0.82 TRPM8 (0.69) TRPM8EPHX1TRPV1
SCHEMBL2628646 0.82 TRPM8 (0.52) TRPM8EPHX1TRPV1MAPK1P2RX4
SCHEMBL2628771 0.81 TRPM8 (0.57) TRPM8EPHX1TRPV1P2RX4
SCHEMBL13989030 0.81 TRPM8 (0.57) TRPM8PDK1PDK2PDK3PDK4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389730-B2 Compositions and methods for the treatment of disease associated with TRP-P8 expression DENDREON CORPORATION (US) 2013-03-05 US disclosed
US-8389730-B2 Compositions and methods for the treatment of disease associated with TRP-P8 expression DENDREON CORPORATION (US) 2013-03-05 US disclosed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 US disclosed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 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-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 TRPM8 8/4885PDK1 4108/4885PDK2 4765/4885

“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.