SCHEMBL2628674

SCHEMBL2628674

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.60
HDAC6 Q9UBN7 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2D6 P10635 1/20 0.43
XBP1 P17861 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.42
ESR2 Q92731 2/20 0.42
KMT2A Q03164 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL15131613 0.92 TRPM8 (0.62) TRPM8MAPTESR2KMT2AALDH1A1
SCHEMBL2628681 0.92 TRPM8 (0.62) TRPM8MAPTESR2KMT2AALDH1A1
SCHEMBL2628745 0.91 TRPM8 (0.61) TRPM8KMT2AALDH1A1KDM4EGAA
SCHEMBL2628740 0.90 TRPM8 (0.58) TRPM8CYP1A2CYP2C9CYP2D6XBP1
SCHEMBL367373 0.82 TRPM8 (0.70) TRPM8MAPTKMT2AALDH1A1NPC1
SCHEMBL2628643 0.82 TRPM8 (0.70) TRPM8MAPTKMT2AALDH1A1NPC1
SCHEMBL2628763 0.82 TRPM8 (0.70) TRPM8KMT2AALDH1A1HTTNPC1
SCHEMBL15133477 0.82 TRPM8 (0.70) TRPM8MAPTKMT2AALDH1A1NPC1
SCHEMBL291791 0.82 TRPM8 (0.61) TRPM8MAPTPIK3CAALDH1A1POLB
SCHEMBL14022692 0.81 TRPM8 (0.69) TRPM8MAPTKMT2AALDH1A1NPC1

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-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 (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 TRPM8 10/4885HDAC6 2691/4885CYP1A2 4717/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 TRPM8 8/4885HDAC6 3437/4885CYP1A2 4739/4885

“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.