SCHEMBL4679294

SCHEMBL4679294

COc1cccc(N2CNC(=O)C23CCN(CCOC2(c4ccc(Cl)c(Cl)c4)CCN(C(C)=O)C2)CC3)c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.68
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
PLD2 O14939 2/20 0.43
PLD1 Q13393 2/20 0.43

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
SCHEMBL13544013 0.96 CCR5 (0.66) CCR5OPRM1OPRL1PLD2PLD1
SCHEMBL4740667 0.92 CCR5 (0.80) CCR5OPRM1OPRL1
SCHEMBL4685629 0.91 CCR5 (0.64) CCR5OPRM1OPRL1PLD2PLD1
SCHEMBL4682434 0.90 CCR5 (0.85) CCR5OPRM1OPRL1
SCHEMBL6170250 0.90 CCR5 (0.63) CCR5OPRM1OPRL1
SCHEMBL5511844 0.89 CCR5 (0.85) CCR5
SCHEMBL13544010 0.87 CCR5 (0.78) CCR5OPRM1OPRL1
SCHEMBL13544009 0.86 CCR5 (0.85) CCR5OPRM1OPRL1
SCHEMBL4686334 0.84 CCR5 (0.86) CCR5OPRM1OPRL1
SCHEMBL13544014 0.83 CCR5 (0.86) CCR5OPRM1OPRL1

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-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US claimed
US-20060058284-A1 Pyrrolidine and azetidine compounds as ccr5 antagonists SMITHKLINE BEECHAM CORPORATION 2006-03-16 US claimed
EP-1569933-B1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-23 EP disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-20060058284-A1 Pyrrolidine and azetidine compounds as ccr5 antagonists SMITHKLINE BEECHAM CORPORATION 2006-03-16 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-20060058284-A1 Pyrrolidine and azetidine compounds as ccr5 antagonists CCR5, CCL5, CXCR1 CCR5 1/4885OPRM1 153/4885OPRL1 196/4885

“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.