SCHEMBL4270731

SCHEMBL4270731

COc1cc(F)cc(C(=O)NC[C@H]2CC[C@H](NCC(=O)N(C)C(C)(C)C)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 9/20 0.52
MCHR1 Q99705 1/20 0.46
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK14 Q16539 2/20 0.39
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7794485 1.00 CACNA1H (0.52) CACNA1HMCHR1HPGDKMT2AKDM4E
SCHEMBL4270726 1.00 CACNA1H (0.52) CACNA1HMCHR1HPGDKMT2AKDM4E
SCHEMBL4274700 0.92 CACNA1H (0.44) CACNA1HMCHR1HPGDKMT2AKDM4E
SCHEMBL4274702 0.92 CACNA1H (0.44) CACNA1HMCHR1HPGDKMT2AKDM4E
SCHEMBL7800034 0.92 CACNA1H (0.44) CACNA1HMCHR1HPGDKMT2AKDM4E
SCHEMBL4272154 0.86 CACNA1H (0.68) CACNA1HMCHR1CACNA1GCACNA1I
SCHEMBL8372298 0.86 CACNA1H (0.53) CACNA1HMCHR1CACNA1GCACNA1IMAPK14
SCHEMBL7800032 0.86 CACNA1H (0.68) CACNA1HMCHR1CACNA1GCACNA1I
SCHEMBL4272155 0.86 CACNA1H (0.68) CACNA1HMCHR1CACNA1GCACNA1I
SCHEMBL7800491 0.85 CACNA1H (0.54) CACNA1HMCHR1HPGDKMT2AKDM4E

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-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
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 3/4885MCHR1 3660/4885HPGD 2019/4885

“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.