SCHEMBL4274764

SCHEMBL4274764

CC(C)(C)NC(=O)CNCC1CCC(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 3/20 0.51
KCNH2 Q12809 1/20 0.51
MCHR1 Q99705 4/20 0.45
ADRA2A P08913 2/20 0.45
ADRA1A P35348 2/20 0.45
HRH1 P35367 1/20 0.45
CRHR1 P34998 5/20 0.43
HTR1A P08908 1/20 0.43
HTR2B P41595 1/20 0.43
CCR2 P41597 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CACNA1H O95180 3/20 0.40
CACNA1G O43497 1/20 0.40
MAPK14 Q16539 2/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL4274759 1.00 CACNA1I (0.51) CACNA1IKCNH2MCHR1ADRA2AADRA1A
SCHEMBL3892700 0.89 CACNA1I (0.64) CACNA1IKCNH2MCHR1ADRA2AADRA1A
SCHEMBL3892706 0.89 CACNA1I (0.64) CACNA1IKCNH2MCHR1ADRA2AADRA1A
SCHEMBL4284152 0.86 CCR2 (0.48) CACNA1IKCNH2MCHR1ADRA2AADRA1A
SCHEMBL4284148 0.86 CCR2 (0.48) CACNA1IKCNH2MCHR1ADRA2AADRA1A
SCHEMBL4279444 0.85 KCNH2 (0.43) CACNA1IKCNH2MCHR1ADRA2AADRA1A
SCHEMBL4279442 0.85 KCNH2 (0.43) CACNA1IKCNH2MCHR1ADRA2AADRA1A
SCHEMBL4280621 0.84 KCNH2 (0.48) CACNA1IKCNH2MCHR1ADRA2AADRA1A
SCHEMBL4280617 0.84 KCNH2 (0.48) CACNA1IKCNH2MCHR1ADRA2AADRA1A
SCHEMBL4284282 0.84 KCNH2 (0.46) CACNA1IKCNH2MCHR1ADRA2AADRA1A

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 CACNA1I 2/4885KCNH2 46/4885MCHR1 3660/4885

“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.