SCHEMBL4099030

SCHEMBL4099030

COC(=O)c1cncc(NC(=O)N2C[C@H](CN(C(=O)OC(C)(C)C)[C@H](C)c3cccc4ccccc34)[C@@H](c3ccccc3)C2)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.36
CCR5 P51681 7/20 0.36
RORC P51449 1/20 0.34
FAAH O00519 2/20 0.33
CASR P41180 1/20 0.33
BACE1 P56817 1/20 0.32
PRMT5 O14744 1/20 0.32
NTRK1 P04629 1/20 0.32
P2RY12 Q9H244 1/20 0.32
BCL2 P10415 1/20 0.31

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
SCHEMBL16274939 0.88 CCR5 (0.44) GRIN2BCCR5RORCFAAHBACE1
SCHEMBL4105692 0.86 CCR5 (0.36) GRIN2BCCR5RORC
SCHEMBL4110414 0.85 CCR5 (0.43) CCR5
SCHEMBL4096440 0.85 MAPK1 (0.41) GRIN2BCCR5
SCHEMBL4099042 0.84 CCR5 (0.42) CCR5RORC
SCHEMBL4095981 0.83 CCR5 (0.37) GRIN2BCCR5RORCCASR
SCHEMBL4106183 0.82 CCR5 (0.38) CCR5RORC
SCHEMBL4110113 0.81 CCR5 (0.41) CCR5RORCCASR
SCHEMBL1095287 0.81 ESR1 (0.37) CCR5CASR
SCHEMBL1096487 0.80 CASR (0.40) CCR5FAAHCASR

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 GRIN2B 1362/4885CCR5 1050/4885RORC 1397/4885

“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.