SCHEMBL3033199

SCHEMBL3033199

O=C(N1CCN(c2cc(C(F)(F)F)ccn2)CC1)C1(CC2CC2)CCN(CC2CCOCC2)C1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 19/20 0.58
▸ CCR5 P51681 2/20 0.50
▸ KCNH2 Q12809 7/20 0.48
▸ FFAR4 Q5NUL3 1/20 0.47

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
SCHEMBL3033156 0.86 MAP3K12 (0.45) CCR2CCR5KCNH2
SCHEMBL3034260 0.85 CCR2 (0.52) CCR2CCR5
SCHEMBL3040626 0.79 CCR2 (0.52) CCR2CCR5KCNH2FFAR4
SCHEMBL3789038 0.78 CCR2 (0.47) CCR2CCR5KCNH2FFAR4
SCHEMBL3788434 0.76 CCR2 (0.47) CCR2CCR5KCNH2FFAR4
SCHEMBL1119770 0.76 KCNH2 (0.55) CCR2KCNH2
SCHEMBL3021200 0.71 CCR2 (0.79) CCR2CCR5KCNH2
SCHEMBL3036595 0.71 CCR2 (0.50) CCR2
SCHEMBL3034206 0.71 CCR2 (0.57) CCR2CCR5
SCHEMBL13335014 0.70 CCR2 (0.62) CCR2CCR5KCNH2FFAR4

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 1/4885CCR5 3/4885KCNH2 4417/4885

“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.

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