SCHEMBL2628642

SCHEMBL2628642

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
HPGD P15428 4/20 0.59
TSHR P16473 2/20 0.59
TRPM8 Q7Z2W7 2/20 0.54
MAPT P10636 9/20 0.51
HTT P42858 5/20 0.51
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 2/20 0.50
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 2/20 0.48
ALOX12 P18054 1/20 0.46

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
SCHEMBL10073861 0.86 TRPM8 (0.64) ALDH1A1TSHRTRPM8MAPTLMNA
SCHEMBL663622 0.86 TRPM8 (0.64) ALDH1A1TSHRTRPM8MAPTLMNA
SCHEMBL2628755 0.83 TRPM8 (0.63) ALDH1A1TSHRTRPM8MAPTHTT
SCHEMBL15131638 0.83 TRPM8 (0.63) ALDH1A1TSHRTRPM8MAPTHTT
SCHEMBL2628764 0.83 TRPM8 (0.65) ALDH1A1TRPM8HTTMEN1KMT2A
SCHEMBL2628686 0.79 KMT2A (0.60) ALDH1A1TRPM8MAPTHTTLMNA
SCHEMBL663340 0.79 TRPM8 (0.69) ALDH1A1HPGDTRPM8MAPTLMNA
SCHEMBL2628679 0.79 TRPM8 (0.69) ALDH1A1HPGDTRPM8MAPTLMNA
SCHEMBL2628747 0.77 TRPM8 (0.73) HPGDTRPM8MAPTHTTSMN1; SMN2
SCHEMBL4819655 0.77 TRPM8 (0.73) HPGDTRPM8MAPTHTTSMN1; 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 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 ALDH1A1 4742/4885HPGD 1277/4885TSHR 2298/4885

“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.