SCHEMBL4100556

SCHEMBL4100556

C[C@H](c1cccc2ccccc12)N(C[C@H]1CN(C(=O)Oc2ccccc2C(=O)O)C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.39
RORC P51449 2/20 0.35
PTGER4 P35408 1/20 0.35
TACR1 P25103 2/20 0.34
MCL1 Q07820 1/20 0.33
BAD Q92934 1/20 0.33
CASR P41180 2/20 0.33
BACE1 P56817 1/20 0.33
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
FABP7 O15540 1/20 0.32
FABP3 P05413 1/20 0.32
FABP5 Q01469 1/20 0.32

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
SCHEMBL4110498 0.88 CASR (0.37) CCR5RORCTACR1CASRPPARG
SCHEMBL4110113 0.87 CCR5 (0.41) CCR5RORCTACR1CASR
SCHEMBL4096448 0.85 CCR5 (0.41) CCR5CASR
SCHEMBL4106183 0.85 CCR5 (0.38) CCR5RORCTACR1PPARGPPARA
SCHEMBL4101486 0.83 CCR5 (0.38) CCR5RORCCASR
SCHEMBL16274939 0.83 CCR5 (0.44) CCR5RORCBACE1
SCHEMBL4101840 0.82 CCR5 (0.39) CCR5RORCCASR
SCHEMBL1096965 0.82 CASR (0.39) CCR5TACR1CASR
SCHEMBL1096628 0.82 CASR (0.39) CCR5TACR1CASRPPARGPPARA
SCHEMBL4106153 0.81 CCR5 (0.39) CCR5CASR

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 1397/4885PTGER4 1265/4885

“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.