SCHEMBL2628786

SCHEMBL2628786

CC(C)[C@@H]1CC[C@@H](C)CC1C(=O)NCCN(C)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SIGMAR1 Q99720 3/20 0.46
TRPM8 Q7Z2W7 4/20 0.44
TAAR1 Q96RJ0 4/20 0.42
TMEM97 Q5BJF2 1/20 0.40
KCNA5 P22460 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
EPHX1 P07099 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
SCHEMBL14664228 1.00 KMT2A (0.48) KMT2AALDH1A1MEN1NPSR1SIGMAR1
SCHEMBL3392794 0.88 TAAR1 (0.54) KMT2AMEN1NPSR1TRPM8TAAR1
SCHEMBL1629039 0.88 TAAR1 (0.54) KMT2AMEN1NPSR1TRPM8TAAR1
SCHEMBL24540254 0.88 TAAR1 (0.54) KMT2AMEN1NPSR1TRPM8TAAR1
SCHEMBL15131620 0.86 KMT2A (0.50) KMT2AALDH1A1MEN1TRPM8TAAR1
SCHEMBL2628705 0.86 KMT2A (0.50) KMT2AALDH1A1MEN1TRPM8TAAR1
SCHEMBL4813136 0.81 MC4R (0.52) ALDH1A1NPSR1TRPM8EPHX1
SCHEMBL24677538 0.80 CYP3A4 (0.47) KMT2AALDH1A1MEN1NPSR1TRPM8
Hydrochloric Acid SCHEMBL29868258 0.79 CYP3A4 (0.47) KMT2AALDH1A1MEN1NPSR1TRPM8
SCHEMBL24540522 0.78 TRPM8 (0.50) KMT2AALDH1A1MEN1NPSR1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 KMT2A 4664/4885ALDH1A1 4742/4885MEN1 2516/4885

“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.