SCHEMBL4279442

SCHEMBL4279442

C#CC(CC)(CC)NC(=O)CNC[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
MCHR1 Q99705 4/20 0.41
ADRA2A P08913 2/20 0.41
ADRA1A P35348 2/20 0.41
HRH1 P35367 1/20 0.41
RECQL P46063 1/20 0.40
CRHR1 P34998 8/20 0.39
HTR1A P08908 1/20 0.39
HTR2B P41595 1/20 0.39
CCR2 P41597 3/20 0.38
CRHR2 Q13324 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL4279444 1.00 KCNH2 (0.43) KCNH2CACNA1IMCHR1ADRA2AADRA1A
SCHEMBL4278378 0.90 KCNH2 (0.54) KCNH2CACNA1IMCHR1ADRA2AADRA1A
SCHEMBL4278380 0.90 KCNH2 (0.54) KCNH2CACNA1IMCHR1ADRA2AADRA1A
SCHEMBL4284164 0.86 KCNH2 (0.49) KCNH2CACNA1IMCHR1ADRA2AADRA1A
SCHEMBL4277296 0.86 KCNH2 (0.49) KCNH2CACNA1IMCHR1ADRA2AADRA1A
SCHEMBL4277291 0.86 KCNH2 (0.49) KCNH2CACNA1IMCHR1ADRA2AADRA1A
SCHEMBL4274764 0.85 CACNA1I (0.51) KCNH2CACNA1IMCHR1ADRA2AADRA1A
SCHEMBL4274759 0.85 CACNA1I (0.51) KCNH2CACNA1IMCHR1ADRA2AADRA1A
SCHEMBL8371920 0.83 KCNH2 (0.47) KCNH2CACNA1IMCHR1ADRA2AADRA1A
SCHEMBL13568425 0.81 MCHR1 (0.40) KCNH2CACNA1IMCHR1ADRA2AADRA1A

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 4 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
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 KCNH2 46/4885CACNA1I 2/4885MCHR1 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.