SCHEMBL3782971

SCHEMBL3782971

COCC1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CCN(Cc2ccc3oc(=O)n(C)c3c2)C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 18/20 0.47
▸ CCR5 P51681 2/20 0.42
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ KCNH2 Q12809 4/20 0.39

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
SCHEMBL3782885 0.88 CCR2 (0.36) CCR2CHRM4
SCHEMBL1119320 0.82 SLC6A9 (0.36) CCR2KCNH2
SCHEMBL13011569 0.82 SLC6A9 (0.36) CCR2KCNH2
SCHEMBL1119889 0.82 CCR2 (0.36) CCR2KCNH2
SCHEMBL1120068 0.81 CCR2 (0.39) CCR2KCNH2
SCHEMBL13011668 0.81 CCR2 (0.39) CCR2KCNH2
SCHEMBL13011667 0.81 CCR2 (0.39) CCR2KCNH2
SCHEMBL13043838 0.78 CCR2 (0.34) CCR2KCNH2
SCHEMBL3746921 0.77 CYP3A4 (0.35) KCNH2
SCHEMBL3789038 0.77 CCR2 (0.47) CCR2CCR5PPARGPPARDPPARA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 — — US claimed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 — — US disclosed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 — — US disclosed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 — — US disclosed
WO-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 — — WO disclosed
WO-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 — — 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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 CCR2 1/4885CCR5 3/4885PPARG 124/4885

“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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