SCHEMBL14770232

SCHEMBL14770232

COc1cc(OC)cc(C(=O)NCC2CCN(CCNC(=O)C(C)(C)C)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.58
CACNA1H O95180 3/20 0.58
CYP2D6 P10635 2/20 0.58
MAPT P10636 1/20 0.56
POLB P06746 3/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
CACNA1I Q9P0X4 11/20 0.54
HTR4 Q13639 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL14770228 0.93 KCNH2 (0.53) KCNH2CACNA1HCYP2D6MAPTPOLB
SCHEMBL4278216 0.91 KCNH2 (0.64) KCNH2CACNA1HCYP2D6MAPTPOLB
SCHEMBL4282664 0.91 CACNA1I (0.53) KCNH2CACNA1HCYP2D6MAPTPOLB
SCHEMBL19113052 0.90 CYP2C9 (0.61) KCNH2CYP2D6MAPTPOLBALDH1A1
SCHEMBL4273491 0.85 MAPT (0.52) KCNH2CACNA1HCYP2D6MAPTPOLB
SCHEMBL4280568 0.85 CACNA1I (0.50) KCNH2CACNA1HCYP2D6MAPTPOLB
SCHEMBL4276583 0.85 KCNH2 (0.61) KCNH2CACNA1HCYP2D6CACNA1IKMT2A
SCHEMBL19113382 0.85 MAPT (0.56) KCNH2CACNA1HCYP2D6MAPTPOLB
SCHEMBL4285578 0.84 KCNH2 (0.78) KCNH2CACNA1HCYP2D6CACNA1I
SCHEMBL4278152 0.84 KCNH2 (0.60) KCNH2CACNA1HCYP2D6CACNA1IKMT2A

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 5 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
US-8569344-B2 N-piperidinyl acetamide derivatives as calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2013-10-29 US disclosed
US-20130065926-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MARK G. DEGIACOMO, CHAPTER 7 TRUSTEE OF EPIRUS BIOPHARMACEUTICALS, INC. 2013-03-14 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 (3 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-20130065926-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B KCNH2 60/4885CACNA1H 2/4885CYP2D6 3619/4885
US-20140011996-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B KCNH2 60/4885CACNA1H 2/4885CYP2D6 3619/4885
US-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B KCNH2 60/4885CACNA1H 2/4885CYP2D6 3619/4885

“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.