SCHEMBL3040986

SCHEMBL3040986

O=C(NCCN1CCCC1)c1cc(CN2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.44
EPHX2 P34913 3/20 0.43
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
PARP1 P09874 2/20 0.40
MCHR1 Q99705 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
SCHEMBL13243611 0.96 EPHX2 (0.41) CCR2EPHX2FPR3FPR2PARP1
SCHEMBL3035005 0.94 EPHX2 (0.49) CCR2EPHX2FPR3FPR2MCHR1
SCHEMBL13243709 0.90 EPHX2 (0.46) CCR2EPHX2FPR3FPR2MCHR1
SCHEMBL3029479 0.87 CCR2 (0.45) CCR2
SCHEMBL3029674 0.85 CCR2 (0.43) CCR2
SCHEMBL13222974 0.83 CCR2 (0.47) CCR2
SCHEMBL3037271 0.83 CCR2 (0.45) CCR2
SCHEMBL3033045 0.82 CCR2 (0.44) CCR2
SCHEMBL3034202 0.81 CCR2 (0.45) CCR2
SCHEMBL13244006 0.81 L3MBTL1 (0.52) 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 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 1/4885EPHX2 1962/4885FPR3 44/4885

“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.