SCHEMBL4284152

SCHEMBL4284152

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.48
KCNH2 Q12809 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
MCHR1 Q99705 4/20 0.45
ADRA2A P08913 2/20 0.45
ADRA1A P35348 2/20 0.45
HRH1 P35367 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR1 P34998 7/20 0.42
TACR1 P25103 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2B P41595 1/20 0.42
CCR5 P51681 1/20 0.42
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 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
SCHEMBL4284148 1.00 CCR2 (0.48) CCR2KCNH2CACNA1IMCHR1ADRA2A
SCHEMBL4271472 0.91 KCNH2 (0.45) CCR2KCNH2CACNA1IMCHR1ADRA2A
SCHEMBL4271468 0.91 KCNH2 (0.45) CCR2KCNH2CACNA1IMCHR1ADRA2A
SCHEMBL4284288 0.89 KCNH2 (0.46) CCR2KCNH2CACNA1IMCHR1ADRA2A
SCHEMBL4284282 0.89 KCNH2 (0.46) CCR2KCNH2CACNA1IMCHR1ADRA2A
SCHEMBL4280347 0.89 KCNH2 (0.60) CCR2KCNH2CACNA1IMCHR1ADRA2A
SCHEMBL4280345 0.89 KCNH2 (0.60) CCR2KCNH2CACNA1IMCHR1ADRA2A
SCHEMBL4282679 0.87 KCNH2 (0.48) CCR2KCNH2CACNA1IMCHR1ADRA2A
SCHEMBL4282674 0.87 KCNH2 (0.48) CCR2KCNH2CACNA1IMCHR1ADRA2A
SCHEMBL4274759 0.86 CACNA1I (0.51) CCR2KCNH2CACNA1IMCHR1ADRA2A

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 CCR2 3341/4885KCNH2 46/4885CACNA1I 2/4885

“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.