SCHEMBL16478339

SCHEMBL16478339

COc1cc(OC)cc(C(=O)NCC2CCN(CC(=O)N3CCC[C@H]3CF)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.45
CACNA1I Q9P0X4 4/20 0.45
KCNH2 Q12809 2/20 0.45
TSHR P16473 1/20 0.44
CACNA1H O95180 4/20 0.44
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
CACNA1G O43497 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GSK3B P49841 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 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
SCHEMBL16478275 0.94 CACNA1H (0.48) KMT2APOLBNPC1HPGDCACNA1I
SCHEMBL8371157 0.94 CACNA1H (0.48) KMT2APOLBNPC1HPGDCACNA1I
SCHEMBL16478341 0.87 CACNA1I (0.47) CACNA1IKCNH2CACNA1HCACNA1G
SCHEMBL4274552 0.86 KMT2A (0.47) KMT2APOLBNPC1HPGDCACNA1I
SCHEMBL4274547 0.86 KMT2A (0.47) KMT2APOLBNPC1HPGDCACNA1I
SCHEMBL8374204 0.84 CACNA1I (0.50) CACNA1IKCNH2CACNA1HCACNA1G
SCHEMBL16478284 0.84 CACNA1I (0.50) CACNA1IKCNH2CACNA1HCACNA1G
SCHEMBL19112961 0.83 TSHR (0.62) KMT2APOLBNPC1HPGDCACNA1I
SCHEMBL15353994 0.82 CCR2 (0.45) CACNA1IKCNH2RAB9A
SCHEMBL8371289 0.82 CACNA1I (0.62) CACNA1IKCNH2CACNA1HCACNA1G

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 KMT2A 3069/4885POLB 3061/4885NPC1 1266/4885
US-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B KMT2A 3069/4885POLB 3061/4885NPC1 1266/4885

“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.