SCHEMBL5510972

SCHEMBL5510972

CC(C)(C)OC(=O)N1CCC(OCC=O)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.44
KDM1A O60341 1/20 0.38
TACR1 P25103 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
GPR183 P32249 1/20 0.38
OPRM1 P35372 1/20 0.38
USP30 Q70CQ3 1/20 0.37
OPRK1 P41145 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL13543990 0.94 CCR5 (0.44) CCR5KDM1ATACR1OPRK1
SCHEMBL4680501 0.92 CCR5 (0.45) CCR5KDM1ATACR1PDE4APDE4B
SCHEMBL14415552 0.88 CCR5 (0.46) CCR5TACR1PDE4APDE4BPDE4C
SCHEMBL13543991 0.85 CCR5 (0.43) CCR5KDM1ATACR1OPRK1
SCHEMBL14415546 0.83 CCR5 (0.51) CCR5TACR1PDE4APDE4BPDE4C
SCHEMBL4683488 0.81 CCR5 (0.54) CCR5TACR1PDE4APDE4BPDE4C
SCHEMBL13544004 0.81 CCR5 (0.46) CCR5KDM1ATACR1OPRM1OPRK1
SCHEMBL27228860 0.79 OPRM1 (0.46) CCR5TACR1OPRM1USP30RORC
SCHEMBL13345591 0.79 CCR5 (0.46) CCR5TACR1PDE4APDE4BPDE4C
SCHEMBL3466260 0.79 CCR5 (0.46) CCR5TACR1PDE4APDE4BPDE4C

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 4 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 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 1/4885KDM1A 2949/4885TACR1 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.