SCHEMBL3168387

SCHEMBL3168387

CCOC(=O)c1cccc(C2CCN([C@H]3CC[C@@](C(=O)N4COc5ccc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.60
KCNH2 Q12809 10/20 0.60

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
SCHEMBL3164960 1.00 CCR2 (0.60) CCR2KCNH2
SCHEMBL6056695 1.00 CCR2 (0.60) CCR2KCNH2
SCHEMBL3164146 0.95 CCR2 (0.60) CCR2KCNH2
SCHEMBL3169475 0.95 CCR2 (0.60) CCR2KCNH2
SCHEMBL13452134 0.95 CCR2 (0.60) CCR2KCNH2
SCHEMBL3170484 0.95 CCR2 (0.60) CCR2KCNH2
SCHEMBL13406507 0.94 CCR2 (0.62) CCR2KCNH2
SCHEMBL13406499 0.91 CCR2 (0.51) CCR2KCNH2
SCHEMBL13406201 0.91 CCR2 (0.51) CCR2KCNH2
SCHEMBL13406202 0.91 CCR2 (0.51) CCR2KCNH2

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-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
EP-1615699-B1 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK SHARP & DOHME (US) 2010-03-24 EP disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 US disclosed
US-20060069088-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK SHARP & DOHME LLC 2006-03-30 US 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 (2 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-20060069088-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 CCR2 2/4885KCNH2 3615/4885
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 CCR2 2/4885KCNH2 3615/4885

“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.