SCHEMBL4272154

SCHEMBL4272154

CN(C(=O)CNC1CCC(CNC(=O)c2cc(F)cc(Cl)c2)CC1)C(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 8/20 0.68
CACNA1I Q9P0X4 10/20 0.55
CACNA1G O43497 1/20 0.55
MCHR1 Q99705 3/20 0.47
KCNH2 Q12809 7/20 0.46
CYP2D6 P10635 1/20 0.43

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
SCHEMBL4272155 1.00 CACNA1H (0.68) CACNA1HCACNA1ICACNA1GMCHR1KCNH2
SCHEMBL7800032 1.00 CACNA1H (0.68) CACNA1HCACNA1ICACNA1GMCHR1KCNH2
SCHEMBL4272190 0.92 CACNA1H (0.59) CACNA1HCACNA1ICACNA1GMCHR1KCNH2
SCHEMBL4272194 0.92 CACNA1H (0.59) CACNA1HCACNA1ICACNA1GMCHR1KCNH2
SCHEMBL7794096 0.92 CACNA1H (0.59) CACNA1HCACNA1ICACNA1GMCHR1KCNH2
SCHEMBL7794067 0.90 CACNA1H (0.56) CACNA1HCACNA1ICACNA1GMCHR1KCNH2
SCHEMBL4284181 0.90 CACNA1H (0.56) CACNA1HCACNA1ICACNA1GMCHR1KCNH2
SCHEMBL4284187 0.90 CACNA1H (0.56) CACNA1HCACNA1ICACNA1GMCHR1KCNH2
SCHEMBL8372298 0.88 CACNA1H (0.53) CACNA1HCACNA1ICACNA1GMCHR1
SCHEMBL7794485 0.86 CACNA1H (0.52) CACNA1HCACNA1ICACNA1GMCHR1

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-20090298834-A1 4-(AMINOMETHYL)CYCLOHEXANAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 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-20090298834-A1 4-(AMINOMETHYL)CYCLOHEXANAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNA1H CACNA1H 3/4885CACNA1I 2/4885CACNA1G 1/4885

“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.