SCHEMBL4680892

SCHEMBL4680892

Cc1cccc(N2CNC(=O)C23CCN(CCCC2(c4ccc(Cl)c(Cl)c4)CCN(C(=O)C4CCC4)C2)CC3)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.63
TACR2 P21452 2/20 0.46
TACR1 P25103 2/20 0.46
TACR3 P29371 2/20 0.46
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44

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
SCHEMBL14415528 0.99 CCR5 (0.64) CCR5TACR2TACR1TACR3OPRM1
SCHEMBL4680985 0.92 CCR5 (0.74) CCR5TACR2TACR1TACR3OPRM1
SCHEMBL14144443 0.92 CCR5 (0.62) CCR5TACR2TACR1TACR3OPRM1
SCHEMBL4682424 0.91 CCR5 (0.74) CCR5TACR2TACR1TACR3OPRM1
SCHEMBL14144448 0.90 CCR5 (0.64) CCR5TACR2TACR1TACR3OPRM1
SCHEMBL14415534 0.90 CCR5 (0.67) CCR5TACR2TACR1TACR3
SCHEMBL4680486 0.90 CCR5 (0.61) CCR5TACR2TACR1TACR3OPRM1
SCHEMBL14415526 0.88 CCR5 (0.55) CCR5TACR2TACR1TACR3
SCHEMBL14415522 0.87 CCR5 (0.63) CCR5TACR2TACR1TACR3
SCHEMBL4683260 0.86 CCR5 (0.73) CCR5TACR2TACR1TACR3OPRM1

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 12 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-A1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SmithKline Beecham Corporation (US) 2005-09-07 EP claimed
WO-2004055016-A1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO claimed
EP-1569933-B1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-23 EP disclosed
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-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
EP-1569933-A1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SmithKline Beecham Corporation (US) 2005-09-07 EP disclosed
WO-2004055016-A1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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-20060058284-A1 Pyrrolidine and azetidine compounds as ccr5 antagonists CCR5, CCL5, CXCR1 CCR5 1/4885TACR2 95/4885TACR1 51/4885

“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.