SCHEMBL16478290

SCHEMBL16478290

CC(C)(C)[C@@H](O)C(=O)N1CCC(CC(=O)Nc2cc(CF)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.46
CXCR3 P49682 2/20 0.42
NAMPT P43490 1/20 0.41
SMYD3 Q9H7B4 1/20 0.38
RHOA P61586 2/20 0.38
RHOC P08134 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
KCNH2 Q12809 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
LMNA P02545 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
GLP1R P43220 1/20 0.35
GCGR P47871 1/20 0.35
GIPR P48546 1/20 0.35

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
SCHEMBL4275000 0.92 EPHX2 (0.50) EPHX2CXCR3NAMPTRHOARHOC
SCHEMBL4274998 0.92 EPHX2 (0.50) EPHX2CXCR3NAMPTRHOARHOC
SCHEMBL15353967 0.87 CXCR3 (0.48) EPHX2CXCR3NAMPTRHOARHOC
SCHEMBL8374009 0.84 CXCR3 (0.48) EPHX2CXCR3NAMPTRHOARHOC
SCHEMBL8373007 0.83 CXCR3 (0.47) EPHX2CXCR3NAMPTRHOARHOC
SCHEMBL19113042 0.81 EPHX2 (0.54) EPHX2CXCR3NAMPTRHOARHOC
SCHEMBL7805034 0.80 MEN1 (0.45) EPHX2CXCR3NAMPTALDH1A1GAA
SCHEMBL15353987 0.80 KCNH2 (0.55) ALDH1A1KCNH2CACNA1I
SCHEMBL19113271 0.78 CXCR3 (0.48) EPHX2CXCR3NAMPTRHOARHOC
SCHEMBL4278127 0.78 CXCR3 (0.56) EPHX2CXCR3NAMPTRHOARHOC

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 3 patents. 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
US-9096522-B2 N-piperidinyl acetamide derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2015-08-04 US disclosed
US-20140011996-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2014-01-09 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-20140011996-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B EPHX2 3915/4885CXCR3 3807/4885NAMPT 1401/4885
US-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B EPHX2 3915/4885CXCR3 3807/4885NAMPT 1401/4885

“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.