SCHEMBL4277315

SCHEMBL4277315

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.58
CACNA1I Q9P0X4 6/20 0.58
MCHR1 Q99705 3/20 0.48
CCR2 P41597 4/20 0.47
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
TACR1 P25103 1/20 0.40
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
CCR5 P51681 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
SCHEMBL4277319 1.00 KCNH2 (0.58) KCNH2CACNA1IMCHR1CCR2HTR1A
SCHEMBL8371263 0.92 KCNH2 (0.50) KCNH2CACNA1IMCHR1CCR2HTR1A
SCHEMBL4271206 0.91 KCNH2 (0.53) KCNH2CACNA1IMCHR1CCR2HTR1A
SCHEMBL4285499 0.91 KCNH2 (0.53) KCNH2CACNA1IMCHR1CCR2HTR1A
SCHEMBL4271210 0.91 KCNH2 (0.53) KCNH2CACNA1IMCHR1CCR2HTR1A
SCHEMBL7799664 0.90 KCNH2 (0.57) KCNH2CACNA1IMCHR1CCR2HTR1A
SCHEMBL4284282 0.89 KCNH2 (0.46) KCNH2CACNA1IMCHR1CCR2HTR1A
SCHEMBL4284288 0.89 KCNH2 (0.46) KCNH2CACNA1IMCHR1CCR2HTR1A
SCHEMBL4280347 0.89 KCNH2 (0.60) KCNH2CACNA1IMCHR1CCR2HTR1A
SCHEMBL4280345 0.89 KCNH2 (0.60) KCNH2CACNA1IMCHR1CCR2HTR1A

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 2 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

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.