SCHEMBL1629039

SCHEMBL1629039

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.54
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
TRPM8 Q7Z2W7 4/20 0.50
MC4R P32245 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
EPHX1 P07099 1/20 0.46
CYP2C19 P33261 1/20 0.46
EPHX2 P34913 1/20 0.45

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
SCHEMBL3392794 1.00 TAAR1 (0.54) TAAR1POLBGAATRPM8MC4R
SCHEMBL24540254 1.00 TAAR1 (0.54) TAAR1POLBGAATRPM8MC4R
SCHEMBL2628705 0.93 KMT2A (0.50) TAAR1TRPM8MEN1KMT2ACYP2C19
SCHEMBL15131620 0.93 KMT2A (0.50) TAAR1TRPM8MEN1KMT2ACYP2C19
SCHEMBL2628712 0.89 TRPM8 (0.50) TAAR1POLBGAATRPM8MEN1
SCHEMBL2628617 0.89 TRPM8 (0.49) TAAR1POLBGAATRPM8MEN1
SCHEMBL2628667 0.89 TRPM8 (0.50) TAAR1POLBGAATRPM8MEN1
SCHEMBL24540522 0.89 TRPM8 (0.50) TAAR1POLBGAATRPM8MEN1
SCHEMBL24540473 0.89 TRPM8 (0.49) TAAR1POLBGAATRPM8MEN1
SCHEMBL3392306 0.89 TRPM8 (0.49) TAAR1POLBGAATRPM8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112930176-A Cyclohexanecarboxamide derivatives for promoting thermogenesis in adipose tissue 宝洁公司 2021-06-08 CN disclosed
US-20200138764-A1 METHODS AND DEVICES FOR ACTIVATING ADIPOSE TISSUE THE PROCTER & GAMBLE COMPANY 2020-05-07 US disclosed
WO-2017070418-A1 SYNTHESIS OF CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2017-04-27 WO disclosed
US-20170057911-A1 SYNTHESIS OF ARYL CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS PROCTER & GAMBLE (US) 2017-03-02 US 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-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-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 US disclosed
US-20110091531-A1 Cooling Composition GIV AUDAN SA (CH) 2011-04-21 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 (4 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 TAAR1 192/4885POLB 4508/4885GAA 4768/4885
US-20200138764-A1 METHODS AND DEVICES FOR ACTIVATING ADIPOSE TISSUE LRBA, FABP4, LIPE TAAR1 3380/4885POLB 2691/4885GAA 1566/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 TAAR1 522/4885POLB 4566/4885GAA 4570/4885
US-20170057911-A1 SYNTHESIS OF ARYL CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS CUTA, ACMSD, SRM TAAR1 110/4885POLB 3398/4885GAA 1705/4885

“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.