SCHEMBL3039259

SCHEMBL3039259

COc1ccc(CC2(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCN(CC3CCOCC3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.48
KCNH2 Q12809 4/20 0.45
CYP3A4 P08684 2/20 0.44
EBP Q15125 5/20 0.44
CACNA1G O43497 1/20 0.43
USP2 O75604 1/20 0.42
HIF1A Q16665 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
SCHEMBL3042043 0.90 CCR2 (0.49) CCR2CYP3A4EBP
SCHEMBL3041700 0.88 CCR2 (0.47) CCR2KCNH2CYP3A4EBPUSP2
SCHEMBL3023614 0.87 CCR2 (0.51) CCR2EBP
SCHEMBL13222890 0.85 CCR2 (0.48) CCR2EBP
SCHEMBL3034833 0.85 CCR2 (0.47) CCR2CYP3A4EBP
SCHEMBL3033473 0.84 CCR2 (0.48) CCR2KCNH2EBP
SCHEMBL3023281 0.84 CCR2 (0.56) CCR2EBP
SCHEMBL3042038 0.82 CCR2 (0.55) CCR2KCNH2EBP
SCHEMBL3036595 0.81 CCR2 (0.50) CCR2EBP
SCHEMBL3035962 0.79 CCR2 (0.49) CCR2EBP

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
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 1/4885KCNH2 4417/4885CYP3A4 1097/4885

“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.