SCHEMBL3040677

SCHEMBL3040677

COc1cc(CN2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.45
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
KCNH2 Q12809 6/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
CACNA1G O43497 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM4 P08173 1/20 0.40
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL3023504 0.86 CCR2 (0.47) CCR2CYP2D6TSHRKCNH2ALDH1A1
SCHEMBL3029490 0.85 NPSR1 (0.49) CCR2CYP2D6TSHRKCNH2CACNA1G
SCHEMBL3029508 0.85 CCR2 (0.44) CCR2CYP2D6TSHRKCNH2CACNA1G
SCHEMBL3023181 0.82 CCR2 (0.45) CCR2CYP2D6TSHRKCNH2CYP3A4
SCHEMBL3043761 0.82 CCR2 (0.45) CCR2CYP2D6TSHRKCNH2USP2
SCHEMBL3033924 0.81 CCR2 (0.43) CCR2CYP2D6TSHRKCNH2ALDH1A1
SCHEMBL3039852 0.81 CCR2 (0.45) CCR2CYP2D6TSHRALDH1A1USP2
SCHEMBL3038231 0.81 GAA (0.49) CCR2CYP2D6TSHRKCNH2CACNA1G
SCHEMBL3041684 0.81 CCR2 (0.47) CCR2KCNH2ALDH1A1
SCHEMBL3033045 0.80 CCR2 (0.44) CCR2CYP2D6TSHRKCNH2CYP3A4

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-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 US claimed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 US disclosed
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 WO 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-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE CCR2, CCR1, CCR5 CCR2 1/4885CYP2D6 1241/4885TSHR 1158/4885

“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.