SCHEMBL4095981

SCHEMBL4095981

COc1cc(C(=O)O)ccc1NC(=O)N1C[C@H](CN(C(=O)OC(C)(C)C)[C@H](C)c2cccc3ccccc23)[C@@H](c2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.37
RORC P51449 1/20 0.35
MYC P01106 1/20 0.35
MAX P61244 1/20 0.35
GRIN2B Q13224 1/20 0.34
CASR P41180 7/20 0.34
CYP2D6 P10635 2/20 0.34
REN P00797 2/20 0.34
PTGER4 P35408 1/20 0.34
MDM4 O15151 2/20 0.33
MDM2 Q00987 2/20 0.33
TP53 P04637 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
SCHEMBL4105692 0.95 CCR5 (0.36) CCR5RORCGRIN2BREN
SCHEMBL1096451 0.94 CASR (0.36) CCR5MYCMAXCASRCYP2D6
SCHEMBL1095287 0.89 ESR1 (0.37) CCR5CASR
SCHEMBL16274939 0.87 CCR5 (0.44) CCR5RORCGRIN2BTP53
SCHEMBL1095992 0.85 CASR (0.36) CCR5CASRCYP2D6
SCHEMBL4096448 0.84 CCR5 (0.41) CCR5CASRCYP2D6
SCHEMBL4110113 0.83 CCR5 (0.41) CCR5RORCCASR
SCHEMBL4099030 0.83 GRIN2B (0.36) CCR5RORCGRIN2BCASR
SCHEMBL4096440 0.82 MAPK1 (0.41) CCR5GRIN2B
SCHEMBL4111956 0.82 CASR (0.46) CASRCYP2D6

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 1397/4885MYC 4586/4885

“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.