SCHEMBL4099042

SCHEMBL4099042

COC(=O)c1cccc(C(=O)N2CC(CN(C(=O)OC(C)(C)C)[C@H](C)c3cccc4ccccc34)C(c3ccccc3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 10/20 0.42
CYP2D6 P10635 1/20 0.36
TLR2 O60603 5/20 0.35
TLR1 Q15399 4/20 0.35
RORC P51449 1/20 0.35
RBP4 P02753 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4110414 0.95 CCR5 (0.43) CCR5CYP2D6TLR2TLR1
SCHEMBL1096874 0.93 CCR5 (0.40) CCR5CYP2D6RBP4KMT2A
SCHEMBL4096448 0.89 CCR5 (0.41) CCR5CYP2D6TLR2TLR1
SCHEMBL1096972 0.88 CCR5 (0.40) CCR5CYP2D6TLR2TLR1
SCHEMBL1095814 0.88 CCR5 (0.42) CCR5CYP2D6TLR2TLR1
SCHEMBL4106183 0.87 CCR5 (0.38) CCR5CYP2D6RORCKMT2A
SCHEMBL4105692 0.87 CCR5 (0.36) CCR5RORCKMT2A
SCHEMBL1095781 0.86 CCR5 (0.39) CCR5CYP2D6RORC
SCHEMBL4110113 0.86 CCR5 (0.41) CCR5RORC
SCHEMBL4106153 0.85 CCR5 (0.39) CCR5CYP2D6TLR2TLR1KMT2A

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 1050/4885CYP2D6 341/4885TLR2 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.