SCHEMBL7799757

SCHEMBL7799757

Cc1cc(C)cc(C(=O)NC[C@H]2CC[C@@H](NCC(=O)NC(C)(C)C)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 12/20 0.55
CACNA1I Q9P0X4 3/20 0.50
CACNA1G O43497 1/20 0.46
KCNH2 Q12809 2/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK14 Q16539 5/20 0.43
CYP2C9 P11712 2/20 0.42
HSPB1 P04792 1/20 0.42
MAPK11 Q15759 1/20 0.42

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
SCHEMBL4283954 1.00 CACNA1H (0.55) CACNA1HCACNA1ICACNA1GKCNH2CYP2D6
SCHEMBL4283951 1.00 CACNA1H (0.55) CACNA1HCACNA1ICACNA1GKCNH2CYP2D6
SCHEMBL4275291 0.92 CACNA1H (0.66) CACNA1HCACNA1ICACNA1GKCNH2CYP2D6
SCHEMBL7799622 0.92 CACNA1H (0.66) CACNA1HCACNA1ICACNA1GKCNH2CYP2D6
SCHEMBL4275293 0.92 CACNA1H (0.66) CACNA1HCACNA1ICACNA1GKCNH2CYP2D6
SCHEMBL13568245 0.91 CACNA1I (0.52) CACNA1HCACNA1ICACNA1GKCNH2
SCHEMBL13568511 0.91 CACNA1I (0.52) CACNA1HCACNA1ICACNA1GKCNH2
SCHEMBL8372209 0.89 CACNA1H (0.52) CACNA1HCACNA1IKCNH2MAPK14CYP2C9
SCHEMBL13568249 0.89 CACNA1H (0.44) CACNA1HCACNA1ICACNA1GMAPK14CYP2C9
SCHEMBL7800272 0.87 CACNA1I (0.66) CACNA1HCACNA1ICACNA1GKCNH2CYP2D6

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
WO-2009146539-A1 4-(AMINOMETHYL)CYCLOHEXANAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-12-10 WO disclosed
US-20090298834-A1 4-(AMINOMETHYL)CYCLOHEXANAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-12-03 US disclosed
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.