SCHEMBL2628778

SCHEMBL2628778

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc2oc(-c3ccccn3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.52
RAB9A P51151 9/20 0.47
NPC1 O15118 8/20 0.47
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
HPGD P15428 6/20 0.44
HSD17B10 Q99714 5/20 0.42
TP53 P04637 4/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
UTRN P46939 1/20 0.42
STAT3 P40763 1/20 0.41
STAT1 P42224 1/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 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
SCHEMBL2628776 0.82 MAPT (0.56) TRPM8RAB9ANPC1ALDH1A1KDM4E
SCHEMBL2628677 0.78 KDM4E (0.59) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL926043 0.74 TRPM8 (0.57) TRPM8RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL290992 0.74 TRPM8 (0.60) TRPM8RAB9ANPC1ALDH1A1KDM4E
SCHEMBL10073491 0.72 TRPM8 (0.73) TRPM8RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL4817890 0.72 TRPM8 (0.73) TRPM8RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2628752 0.71 TRPM8 (0.61) TRPM8NPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL14084900 0.71 TRPM8 (0.70) TRPM8ALDH1A1SMN1; SMN2TP53
SCHEMBL926378 0.71 TRPM8 (0.58) TRPM8RAB9ANPC1SMN1; SMN2
SCHEMBL14664225 0.71 NPC1 (0.44) RAB9ANPC1ALDH1A1KDM4ESMN1; 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 6 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-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 10/4885RAB9A 3000/4885NPC1 1445/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 TRPM8 8/4885RAB9A 2880/4885NPC1 985/4885

“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.