SCHEMBL8375986

SCHEMBL8375986

COc1cc(I)cc(C(=O)NCC2CCN(CC(=O)N(C)C(C)(C)C)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 11/20 0.49
KCNH2 Q12809 8/20 0.49
CACNA1H O95180 5/20 0.46
CACNA1G O43497 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.42
GSK3B P49841 1/20 0.42
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 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
SCHEMBL14706531 0.90 CACNA1I (0.48) CACNA1IKCNH2CACNA1HCACNA1GPOLB
SCHEMBL4280786 0.89 CACNA1I (0.63) CACNA1IKCNH2CACNA1HCACNA1GPOLB
SCHEMBL4269380 0.89 CACNA1H (0.56) CACNA1IKCNH2CACNA1HCACNA1GPOLB
SCHEMBL8373060 0.87 CACNA1I (0.52) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL8376177 0.86 CACNA1H (0.58) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4280566 0.81 CACNA1I (0.52) CACNA1IKCNH2CACNA1HCACNA1GPOLB
SCHEMBL4274816 0.81 CACNA1I (0.56) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4282748 0.81 CACNA1I (0.74) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4270099 0.79 PIM1 (0.51) CACNA1IKCNH2CACNA1HCACNA1GKDM4E
SCHEMBL14770272 0.78 CCR2 (0.55) CACNA1IKCNH2CACNA1HPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298883-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MARK G. DEGIACOMO, CHAPTER 7 TRUSTEE OF EPIRUS BIOPHARMACEUTICALS, INC. 2009-12-03 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-20090298883-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B CACNA1I 4/4885KCNH2 60/4885CACNA1H 2/4885

“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.