SCHEMBL4110498

SCHEMBL4110498

C[C@H](c1cccc2ccccc12)N(C[C@H]1CN(C(=O)Oc2ccc(C(=O)O)cc2)C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.37
CCR5 P51681 3/20 0.37
CYP2D6 P10635 3/20 0.36
PPARG P37231 3/20 0.36
RORC P51449 1/20 0.36
PPARA Q07869 2/20 0.35
TACR1 P25103 2/20 0.34
MMP12 P39900 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
SCHEMBL4106183 0.93 CCR5 (0.38) CCR5CYP2D6PPARGRORCPPARA
SCHEMBL1096628 0.93 CASR (0.39) CASRCCR5CYP2D6PPARGPPARA
SCHEMBL1096965 0.93 CASR (0.39) CASRCCR5CYP2D6TACR1
SCHEMBL4096448 0.90 CCR5 (0.41) CASRCCR5CYP2D6
SCHEMBL4106153 0.90 CCR5 (0.39) CASRCCR5CYP2D6
SCHEMBL4100556 0.88 CCR5 (0.39) CASRCCR5PPARGRORCPPARA
SCHEMBL4110113 0.88 CCR5 (0.41) CASRCCR5RORCTACR1
SCHEMBL1096703 0.87 CCR5 (0.39) CASRCCR5PPARGPPARATACR1
SCHEMBL1095299 0.87 CCR5 (0.38) CASRCCR5CYP2D6TACR1
SCHEMBL1096793 0.87 CCR5 (0.37) CASRCCR5TACR1

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

“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.