SCHEMBL4740667

SCHEMBL4740667

CC(=O)N1CCC(OCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.80
OPRM1 P35372 2/20 0.49
OPRL1 P41146 1/20 0.49
SLC6A9 P48067 1/20 0.49
SLC6A5 Q9Y345 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
HTR2C P28335 1/20 0.48
AVPR1A P37288 1/20 0.48
OPRK1 P41145 1/20 0.48

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
SCHEMBL4679294 0.92 CCR5 (0.68) CCR5OPRM1OPRL1
SCHEMBL4683230 0.90 CCR5 (0.75) CCR5OPRM1OPRL1SLC6A9SLC6A5
SCHEMBL6170669 0.89 CCR5 (0.73) CCR5OPRM1OPRL1SLC6A9SLC6A5
SCHEMBL4686130 0.89 CCR5 (1.00) CCR5OPRM1OPRL1SLC6A9SLC6A5
SCHEMBL4679383 0.88 CCR5 (1.00) CCR5OPRM1OPRL1ADORA3HTR2C
SCHEMBL13544013 0.87 CCR5 (0.66) CCR5OPRM1OPRL1
SCHEMBL13544006 0.85 CCR5 (0.92) CCR5OPRM1OPRL1SLC6A9SLC6A5
SCHEMBL13544007 0.84 CCR5 (1.00) CCR5OPRM1OPRL1ADORA3HTR2C
SCHEMBL4683214 0.84 CCR5 (1.00) CCR5OPRM1OPRL1SLC6A9SLC6A5
SCHEMBL4685629 0.83 CCR5 (0.64) 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 10 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
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 1/4885OPRM1 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.