SCHEMBL2628647

SCHEMBL2628647

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc2c(c1)CCC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.63
KMT2A Q03164 2/20 0.56
HPGD P15428 2/20 0.49
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
USP2 O75604 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
EPHX1 P07099 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL663303 1.00 TRPM8 (0.63) TRPM8KMT2AHPGDNPC1RAB9A
SCHEMBL2628639 0.83 TRPM8 (0.59) TRPM8KMT2ANPC1RAB9ACYP1A2
SCHEMBL14565718 0.82 TRPM8 (0.67) TRPM8KMT2ANPC1RAB9ACYP3A4
SCHEMBL2628739 0.82 TRPM8 (0.67) TRPM8KMT2ANPC1RAB9ACYP3A4
SCHEMBL2628764 0.81 TRPM8 (0.65) TRPM8KMT2AALDH1A1EPHX1NFKB1
SCHEMBL4817319 0.80 TRPM8 (0.75) TRPM8KMT2AHPGDNPC1RAB9A
SCHEMBL2628672 0.80 TRPM8 (0.75) TRPM8KMT2AHPGDNPC1RAB9A
SCHEMBL10073486 0.80 TRPM8 (0.75) TRPM8KMT2AHPGDNPC1RAB9A
SCHEMBL4820732 0.80 TRPM8 (0.75) TRPM8KMT2AHPGDNPC1RAB9A
SCHEMBL5448215 0.80 TRPM8 (0.64) TRPM8KMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656144-B2 TRP-P8 ACTIVE COMPOUNDS AND THERAPEUTIC TREATMENT METHODS GENENTECH INC (US) 2017-12-20 EP disclosed
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
US-20120045448-A1 TRP-P8 ACTIVE COMPOUNDS AND THERAPEUTIC TREATMENT METHODS GENENTECH, INC. (US) 2012-02-23 US disclosed
US-7893072-B2 Cool-genic compounds as anticarcinogenic agents promoting apoptosis and inhibit angiogenesis; antiproliferative agents GENENTECH, INC. (US) 2011-02-22 US disclosed
US-7893072-B2 Cool-genic compounds as anticarcinogenic agents promoting apoptosis and inhibit angiogenesis; antiproliferative agents GENENTECH, INC. (US) 2011-02-22 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 (3 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 10/4885KMT2A 4529/4885HPGD 2446/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 TRPM8 8/4885KMT2A 4664/4885HPGD 1277/4885
US-20120045448-A1 TRP-P8 ACTIVE COMPOUNDS AND THERAPEUTIC TREATMENT METHODS TSG101, TP53, BAX TRPM8 28/4885KMT2A 4383/4885HPGD 1122/4885

“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.