SCHEMBL16478288

SCHEMBL16478288

COc1cc(CF)cc(C(=O)NCC2CCN(CCNS(=O)(=O)C(C)C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.47
MAPT P10636 1/20 0.44
KCNH2 Q12809 8/20 0.42
CACNA1H O95180 1/20 0.42
CYP2D6 P10635 1/20 0.42
CACNA1I Q9P0X4 7/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
CCR3 P51677 1/20 0.42
HTR4 Q13639 3/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4276934 0.92 MAPT (0.52) GSK3BMAPTKCNH2CACNA1HCYP2D6
SCHEMBL4272453 0.89 GSK3B (0.48) GSK3BMAPTKCNH2CACNA1HCYP2D6
SCHEMBL15353992 0.89 GSK3B (0.47) GSK3BMAPTKCNH2CACNA1HCYP2D6
SCHEMBL4275757 0.88 KCNH2 (0.55) GSK3BMAPTKCNH2CACNA1HCYP2D6
SCHEMBL15353997 0.88 KCNH2 (0.55) KCNH2CACNA1HCYP2D6CACNA1I
SCHEMBL15353979 0.88 CACNA1I (0.46) KCNH2CACNA1HCYP2D6CACNA1IHTR4
SCHEMBL4273172 0.87 KCNH2 (0.57) GSK3BMAPTKCNH2CACNA1HCYP2D6
SCHEMBL8370965 0.86 KCNH2 (0.58) KCNH2CACNA1HCYP2D6CACNA1IHTR4
SCHEMBL4276941 0.82 CACNA1I (0.49) GSK3BKCNH2CACNA1HCYP2D6CACNA1I
SCHEMBL14770047 0.81 GSK3B (0.63) GSK3BMAPTKCNH2CACNA1HCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20140011996-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B GSK3B 4290/4885MAPT 1887/4885KCNH2 60/4885

“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.