SCHEMBL17860768

SCHEMBL17860768

CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCC(CC(=O)Nc2cc(CF)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3 P56703 2/20 0.44
SFRP1 Q8N474 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42
STS P08842 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
EPHX2 P34913 1/20 0.39
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
NPC1 O15118 1/20 0.39
GLS O94925 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TACR1 P25103 1/20 0.38
TGFBR1 P36897 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL17860940 0.97 HSD17B10 (0.47) WNT3SFRP1HSD17B10KCNH2MCHR1
SCHEMBL17860757 0.97 HSD17B10 (0.47) WNT3SFRP1HSD17B10KCNH2MCHR1
SCHEMBL4274713 0.93 HSD17B10 (0.48) WNT3SFRP1HSD17B10KCNH2MCHR1
SCHEMBL4272965 0.91 HSD17B10 (0.52) WNT3SFRP1HSD17B10STSMEN1
SCHEMBL4276665 0.91 HSD17B10 (0.52) WNT3SFRP1HSD17B10STSMEN1
SCHEMBL4272968 0.91 HSD17B10 (0.52) WNT3SFRP1HSD17B10STSMEN1
SCHEMBL8374022 0.87 CYP1A2 (0.40) WNT3SFRP1STSEPHX2GLS
SCHEMBL4276575 0.80 CYP1A2 (0.43) STSEPHX2RHOCRHOAGLS
SCHEMBL4276573 0.80 CYP1A2 (0.43) STSEPHX2RHOCRHOAGLS
SCHEMBL6863335 0.79 STS (0.56) STSEPHX2GLSTACR1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS, LTD. (CA) 2016-06-23 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-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B WNT3 4764/4885SFRP1 4856/4885HSD17B10 2804/4885

“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.