SCHEMBL3036985

SCHEMBL3036985

COc1ccc(CN2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.44
KCNH2 Q12809 6/20 0.44
CACNA1G O43497 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
PPARA Q07869 3/20 0.42
PPARD Q03181 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL3039479 0.93 CCR2 (0.44) CCR2KCNH2CACNA1GCYP2D6TSHR
SCHEMBL3038231 0.89 GAA (0.49) CCR2KCNH2CACNA1GCYP2D6TSHR
SCHEMBL3034202 0.89 CCR2 (0.45) CCR2KCNH2CACNA1GCYP2D6TSHR
SCHEMBL13244006 0.88 L3MBTL1 (0.52) CCR2KCNH2CACNA1GCYP2D6TSHR
SCHEMBL3029479 0.88 CCR2 (0.45) CCR2KCNH2CYP2D6TSHRGAA
SCHEMBL3037271 0.87 CCR2 (0.45) CCR2KCNH2CYP2D6TSHRGAA
SCHEMBL3039081 0.86 CCR2 (0.47) CCR2KCNH2CACNA1GCYP2D6TSHR
SCHEMBL3029508 0.85 CCR2 (0.44) CCR2KCNH2CACNA1GCYP2D6TSHR
SCHEMBL3023504 0.84 CCR2 (0.47) CCR2KCNH2CYP2D6TSHRGAA
SCHEMBL3029490 0.84 NPSR1 (0.49) CCR2KCNH2CACNA1GCYP2D6TSHR

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 5 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
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
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 1/4885KCNH2 4417/4885CACNA1G 3387/4885

“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.