SCHEMBL14770240

SCHEMBL14770240

COc1cc(F)cc(C(=O)NCC2CCN(CCNC(=O)C3(C)CC3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
CACNA1H O95180 2/20 0.46
CYP2D6 P10635 1/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 1/20 0.46
CACNA1I Q9P0X4 6/20 0.45
CACNA1G O43497 1/20 0.45
MCHR1 Q99705 1/20 0.45
HTR4 Q13639 1/20 0.45
DRD4 P21917 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
HTR7 P34969 1/20 0.42
GSK3B P49841 2/20 0.41
CCR3 P51677 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
SCHEMBL14770242 0.93 MAPT (0.53) KCNH2CACNA1HCYP2D6POLBKDM4E
SCHEMBL8374124 0.90 KCNH2 (0.59) KCNH2CACNA1HCYP2D6POLBKDM4E
SCHEMBL4272340 0.89 CACNA1I (0.47) KCNH2CACNA1HCYP2D6POLBKDM4E
SCHEMBL14770238 0.88 KCNH2 (0.48) KCNH2CACNA1HCYP2D6CACNA1ICACNA1G
SCHEMBL4284346 0.88 KCNH2 (0.46) KCNH2CACNA1HCYP2D6POLBKDM4E
SCHEMBL14770218 0.87 CACNA1I (0.60) KCNH2CACNA1HCYP2D6CACNA1ICACNA1G
SCHEMBL14770228 0.86 KCNH2 (0.53) KCNH2CACNA1HCYP2D6POLBKDM4E
SCHEMBL26081951 0.84 CACNA1I (0.59) KCNH2CACNA1HCYP2D6CACNA1ICACNA1G
SCHEMBL4279194 0.84 ACKR3 (0.48) KCNH2CACNA1HCYP2D6POLBKDM4E
SCHEMBL13569755 0.84 MAPT (0.48) KCNH2CACNA1HCYP2D6POLBKDM4E

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.