SCHEMBL4101874

SCHEMBL4101874

C[C@H](c1cccc2ccccc12)N(C[C@H]1CN(C(=O)c2ccc(C3NNC(=O)O3)cc2)C[C@@H]1c1ccccc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
CCR5 P51681 9/20 0.38
CASR P41180 1/20 0.36
TLR2 O60603 5/20 0.36
MGLL Q99685 2/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL4106204 0.84 CCR5 (0.44) CYP2D6CCR5CASRTLR2
SCHEMBL4093980 0.81 CCR5 (0.41) CYP2D6CCR5TLR2RORC
SCHEMBL4100239 0.81 CCR5 (0.41) CYP2D6CCR5CASRTLR2
SCHEMBL4101872 0.81 CCR5 (0.37) CYP2D6CCR5CASRTLR2MGLL
SCHEMBL4108723 0.81 CA1 (0.43) CYP2D6CCR5CASR
SCHEMBL4094906 0.80 CCR5 (0.43) CYP2D6CCR5CASRRORC
SCHEMBL4106863 0.79 SCN3A (0.42) CYP2D6CCR5CASRTLR2
SCHEMBL4104571 0.79 CCR5 (0.38) CYP2D6CCR5CASRTLR2RORC
SCHEMBL4096349 0.78 CCR5 (0.39) CYP2D6CCR5TLR2
SCHEMBL4100815 0.78 CCR5 (0.50) CYP2D6CCR5

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 CYP2D6 341/4885CCR5 1050/4885CASR 1/4885

“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.