SCHEMBL4105692

SCHEMBL4105692

COC(=O)c1ccc(NC(=O)N2C[C@H](CN(C(=O)OC(C)(C)C)[C@H](C)c3cccc4ccccc34)[C@@H](c3ccccc3)C2)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.36
RORC P51449 1/20 0.34
GRIN2B Q13224 3/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
REN P00797 2/20 0.33
UBE2M P61081 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
PNKP Q96T60 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PYGL P06737 1/20 0.32
PDE4B Q07343 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
SCHEMBL4095981 0.95 CCR5 (0.37) CCR5RORCGRIN2BREN
SCHEMBL1095287 0.94 ESR1 (0.37) CCR5ESR1ESR2UBE2MDCUN1D1
SCHEMBL1096451 0.89 CASR (0.36) CCR5ESR1ESR2
SCHEMBL4099042 0.87 CCR5 (0.42) CCR5RORCKMT2A
SCHEMBL1097420 0.86 UBE2M (0.41) CCR5ESR1ESR2UBE2MDCUN1D1
SCHEMBL4099030 0.86 GRIN2B (0.36) CCR5RORCGRIN2B
SCHEMBL4110414 0.86 CCR5 (0.43) CCR5
SCHEMBL16274939 0.86 CCR5 (0.44) CCR5RORCGRIN2B
SCHEMBL4106183 0.83 CCR5 (0.38) CCR5RORCMEN1KMT2A
SCHEMBL4096440 0.83 MAPK1 (0.41) CCR5GRIN2BMEN1KMT2A

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 1397/4885GRIN2B 1362/4885

“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.