SCHEMBL3040626

SCHEMBL3040626

COc1cc(CN2CCC(CC3CC3)(C(=O)N3CCN(c4cc(C(F)(F)F)ccn4)CC3)C2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 15/20 0.52
▸ CHRM4 P08173 1/20 0.47
▸ CCR5 P51681 1/20 0.45
▸ FFAR4 Q5NUL3 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3029687 0.87 LMNA (0.54) CCR2CHRM4KDM4EALDH1A1GAA
SCHEMBL3789038 0.83 CCR2 (0.47) CCR2CHRM4CCR5FFAR4PPARG
SCHEMBL3788434 0.82 CCR2 (0.47) CCR2CHRM4CCR5FFAR4PPARG
SCHEMBL1119856 0.80 CCR2 (0.43) CCR2KCNH2GAASMN1; SMN2
SCHEMBL3033199 0.79 CCR2 (0.58) CCR2CCR5FFAR4KCNH2
SCHEMBL3023504 0.77 CCR2 (0.47) CCR2PPARGKDM4EALDH1A1KCNH2
SCHEMBL3782971 0.74 CCR2 (0.47) CCR2CHRM4CCR5PPARGPPARD
SCHEMBL13074760 0.73 KDM4E (0.39) CCR2KDM4EALDH1A1KCNH2GAA
SCHEMBL3038231 0.73 GAA (0.49) CCR2KDM4EALDH1A1KCNH2GAA
SCHEMBL3038732 0.73 LMNA (0.58) CCR2KDM4EALDH1A1GAASMN1; SMN2

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
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 — — WO 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 1/4885CHRM4 506/4885CCR5 3/4885

“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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