SCHEMBL2628675

SCHEMBL2628675

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc2[nH]ncc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
TRPM8 Q7Z2W7 3/20 0.57
ULK1 O75385 1/20 0.53
ROCK2 O75116 8/20 0.52
ROCK1 Q13464 6/20 0.52
P2RX7 Q99572 2/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
JAK2 O60674 1/20 0.46
MAT2A P31153 1/20 0.44
CCR2 P41597 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CLK2 P49760 1/20 0.44
DYRK1A Q13627 1/20 0.44
PRKG1 Q13976 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44

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
SCHEMBL2628742 0.80 TRPM8 (0.60) POLBTRPM8RAB9A
SCHEMBL2628739 0.78 TRPM8 (0.67) POLBTRPM8CYP3A4NPC1RAB9A
SCHEMBL14565718 0.78 TRPM8 (0.67) POLBTRPM8CYP3A4NPC1RAB9A
SCHEMBL2628743 0.77 TRPM8 (0.53) TRPM8
SCHEMBL12280659 0.77 POLB (0.62) POLBULK1ROCK2ROCK1P2RX7
SCHEMBL2628764 0.77 TRPM8 (0.65) TRPM8
SCHEMBL15133484 0.77 TRPM8 (0.59) TRPM8NPC1RAB9A
SCHEMBL2628754 0.77 TRPM8 (0.59) POLBTRPM8NPC1RAB9A
SCHEMBL10073486 0.76 TRPM8 (0.75) TRPM8NPC1RAB9A
SCHEMBL4817319 0.76 TRPM8 (0.75) TRPM8NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2013-07-25 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-8362264-B2 Tryptophan antagonist; anticancer agents DENDREON CORPORATION (US) 2013-01-29 US disclosed
US-8362264-B2 Tryptophan antagonist; anticancer agents DENDREON CORPORATION (US) 2013-01-29 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 (2 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-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 POLB 4508/4885TRPM8 10/4885ULK1 3709/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 POLB 4566/4885TRPM8 8/4885ULK1 3809/4885

“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.