SCHEMBL3033136

SCHEMBL3033136

CCS(=O)(=O)NC(=O)c1cc(CN2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.42
KCNH2 Q12809 5/20 0.38
SCN9A Q15858 1/20 0.38
TACR1 P25103 2/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RX1 P51575 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36

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
SCHEMBL3029674 0.95 CCR2 (0.43) CCR2KCNH2SCN9ATACR1GAA
SCHEMBL13222989 0.89 GAA (0.44) CCR2KCNH2TACR1GAASMN1; SMN2
SCHEMBL3033045 0.88 CCR2 (0.44) CCR2KCNH2TACR1GAASMN1; SMN2
SCHEMBL3023181 0.85 CCR2 (0.45) CCR2KCNH2TACR1GAASMN1; SMN2
SCHEMBL3034424 0.84 CCR2 (0.43) CCR2KCNH2
SCHEMBL3038733 0.84 KCNH2 (0.47) CCR2KCNH2TACR1
SCHEMBL3043761 0.83 CCR2 (0.45) CCR2KCNH2TACR1GAASMN1; SMN2
SCHEMBL3029490 0.83 NPSR1 (0.49) CCR2KCNH2
SCHEMBL3029479 0.82 CCR2 (0.45) CCR2KCNH2TACR1GAASMN1; SMN2
SCHEMBL3038597 0.82 TRPV1 (0.48) CCR2

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 1/4885KCNH2 4417/4885SCN9A 3564/4885

“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.