SCHEMBL2628741

SCHEMBL2628741

Cc1ccc(NC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
TRPM8 Q7Z2W7 4/20 0.55
POLB P06746 2/20 0.48
HPGD P15428 2/20 0.44
EPHX1 P07099 1/20 0.44
P2RX5 Q93086 1/20 0.42
P2RX4 Q99571 1/20 0.42
P2RX7 Q99572 1/20 0.42
P2RX2 Q9UBL9 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4817987 0.88 TRPM8 (0.57) RAB9ANPC1TRPM8EPHX1KMT2A
SCHEMBL15133483 0.88 TRPM8 (0.57) RAB9ANPC1TRPM8EPHX1KMT2A
SCHEMBL14664188 0.88 TRPM8 (0.57) RAB9ANPC1TRPM8EPHX1KMT2A
SCHEMBL2628678 0.88 TRPM8 (0.57) RAB9ANPC1TRPM8EPHX1KMT2A
SCHEMBL15133487 0.84 GLA (0.57) RAB9ANPC1TRPM8EPHX1SMN1; SMN2
SCHEMBL2628685 0.84 TRPM8 (0.55) RAB9ANPC1TRPM8HPGDEPHX1
SCHEMBL4817319 0.80 TRPM8 (0.75) RAB9ANPC1TRPM8HPGDEPHX1
SCHEMBL2628672 0.80 TRPM8 (0.75) RAB9ANPC1TRPM8HPGDEPHX1
SCHEMBL5391878 0.79 TRPM8 (0.55) TRPM8EPHX1P2RX4
SCHEMBL2628749 0.79 TRPM8 (0.63) RAB9ATRPM8EPHX1KMT2AMEN1

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 RAB9A 3000/4885NPC1 1445/4885TRPM8 10/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 RAB9A 2880/4885NPC1 985/4885TRPM8 8/4885

“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.