SCHEMBL5058151

SCHEMBL5058151

COc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 1.00
KCNH2 Q12809 13/20 1.00

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
SCHEMBL13048973 1.00 CCR2 (1.00) CCR2KCNH2
SCHEMBL745198 1.00 CCR2 (1.00) CCR2KCNH2
SCHEMBL14281986 1.00 CCR2 (1.00) CCR2KCNH2
SCHEMBL5058152 1.00 CCR2 (1.00) CCR2KCNH2
SCHEMBL14264965 1.00 CCR2 (1.00) CCR2KCNH2
SCHEMBL6013676 0.97 CCR2 (1.00) CCR2KCNH2
SCHEMBL6013639 0.97 CCR2 (1.00) CCR2KCNH2
SCHEMBL6013675 0.97 CCR2 (1.00) CCR2KCNH2
SCHEMBL6013624 0.96 CCR2 (0.95) CCR2KCNH2
SCHEMBL6013623 0.96 CCR2 (0.95) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076120-A1 Methods for the identification, evaluation and treatment of patients having CC-Chemokine receptor 2 (CCR-2) mediated disorders MILLENNIUM PHARMACEUTICALS, INC. 2008-03-27 US disclosed
EP-1819694-A2 SALTS OF N-[2-({3R)-1-[trans-4-HYDROXY-4-(6-METHOXYPYRIDIN-3-YL)-CYCLOHEXYL]PYRROLIDINE-3-YL}AMINO)-2-OXOETHYL]-3-(TRIFLUOROMETHYL)BENZAMIDE Incyte Corporation (US) 2007-08-22 EP disclosed
WO-2006073592-A3 SALTS OF N-[2-({3R)-1-[trans-4-HYDROXY-4-(6-METHOXYPYRIDIN-3-YL)-CYCLOHEXYL]PYRROLIDINE-3-YL}AMINO)-2-OXOETHYL]-3-(TRIFLUOROMETHYL)BENZAMIDE INCYTE CORP (US) 2006-09-28 WO disclosed
WO-2006073592-A2 SALTS OF N-[2-({3R)-1-[trans-4-HYDROXY-4-(6-METHOXYPYRIDIN-3-YL)-CYCLOHEXYL]PYRROLIDINE-3-YL}AMINO)-2-OXOETHYL]-3-(TRIFLUOROMETHYL)BENZAMIDE INCYTE CORPORATION (US) 2006-07-13 WO disclosed
US-20060111404-A1 Salts of N-[2-({(3R)-1-[trans-4-hydroxy-4-(6-methoxypyridin-3-yl)-cyclohexyl]pyrrolidin-3-yl}amino)-2-oxoethyl]-3-(trifluoromethyl)benzamide INCYTE CORPORATION 2006-05-25 US disclosed
US-20060111404-A1 Salts of N-[2-({(3R)-1-[trans-4-hydroxy-4-(6-methoxypyridin-3-yl)-cyclohexyl]pyrrolidin-3-yl}amino)-2-oxoethyl]-3-(trifluoromethyl)benzamide INCYTE CORPORATION 2006-05-25 US disclosed
US-20060111404-A1 Salts of N-[2-({(3R)-1-[trans-4-hydroxy-4-(6-methoxypyridin-3-yl)-cyclohexyl]pyrrolidin-3-yl}amino)-2-oxoethyl]-3-(trifluoromethyl)benzamide INCYTE CORPORATION 2006-05-25 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 (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-20060111404-A1 Salts of N-[2-({(3R)-1-[trans-4-hydroxy-4-(6-methoxypyridin-3-yl)-cyclohexyl]pyrrolidin-3-yl}amino)-2-oxoethyl]-3-(trifluoromethyl)benzamide CCR5, CCR2, ACKR3 CCR2 2/4885KCNH2 1483/4885

“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.