SCHEMBL3035005

SCHEMBL3035005

O=C(NCCN1CCCC1)c1ccc(CN2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
MCHR1 Q99705 2/20 0.47
CCR2 P41597 12/20 0.44
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
IKBKB O14920 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
SCHEMBL13243709 0.96 EPHX2 (0.46) EPHX2MCHR1CCR2FPR3FPR2
SCHEMBL3040986 0.94 CCR2 (0.44) EPHX2MCHR1CCR2FPR3FPR2
SCHEMBL13243611 0.90 EPHX2 (0.41) EPHX2MCHR1CCR2FPR3FPR2
SCHEMBL3037271 0.88 CCR2 (0.45) CCR2
SCHEMBL3029479 0.82 CCR2 (0.45) CCR2
SCHEMBL13222974 0.81 CCR2 (0.47) CCR2
SCHEMBL14221713 0.81 CCR2 (0.41) CCR2
SCHEMBL4731809 0.80 EPHX2 (0.47) EPHX2MCHR1CCR2FPR3FPR2
SCHEMBL3043761 0.80 CCR2 (0.45) CCR2
SCHEMBL3034202 0.80 CCR2 (0.45) 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 4 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

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 EPHX2 1962/4885MCHR1 325/4885CCR2 1/4885

“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.