SCHEMBL4093859

SCHEMBL4093859

CC(C)(C)[Si](C)(C)OC[C@@H]1CN(C(=O)O)C[C@H]1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.39
RORC P51449 2/20 0.38
TLR2 O60603 1/20 0.36

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
SCHEMBL4111698 1.00 CCR5 (0.39) CCR5RORCTLR2
SCHEMBL4102969 0.89 CCR5 (0.42) CCR5
SCHEMBL4093866 0.89 RORC (0.40) CCR5RORC
SCHEMBL4101475 0.89 RORC (0.40) CCR5RORC
SCHEMBL4108752 0.89 RORC (0.40) CCR5RORC
SCHEMBL4101462 0.86 HTR2A (0.39) RORC
SCHEMBL4112161 0.84 ALOX5 (0.36) CCR5
SCHEMBL7501730 0.83 CCR5 (0.44) CCR5
SCHEMBL7982834 0.83 CCR5 (0.44) CCR5
SCHEMBL7987323 0.82 CCR5 (0.46) CCR5

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
EP-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US disclosed
EP-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-01-30 EP 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-20090062366-A1 Pyrrolidine derivative or salt thereof CASR, CYP2R1, PTH1R CCR5 1050/4885RORC 1397/4885TLR2 1663/4885

“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.