SCHEMBL4096440

SCHEMBL4096440

CCOC(=O)c1ccc(NC(=O)N2C[C@H](CN(C(=O)OC(C)(C)C)[C@H](C)c3cccc4ccccc34)[C@@H](c3ccccc3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPY2R P49146 2/20 0.39
GRIN2B Q13224 1/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CCR5 P51681 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.36
CCR2 P41597 1/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36

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
SCHEMBL1095286 0.94 NPY2R (0.42) MAPK1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16274939 0.92 CCR5 (0.44) RAB9ANPC1SMN1; SMN2GRIN2BCCR5
SCHEMBL1096487 0.85 CASR (0.40) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4099030 0.85 GRIN2B (0.36) GRIN2BCCR5
SCHEMBL4110414 0.84 CCR5 (0.43) CCR5TLR2TLR1
SCHEMBL4110113 0.84 CCR5 (0.41) CCR5
SCHEMBL4105692 0.83 CCR5 (0.36) MEN1KMT2AGRIN2BCCR5
SCHEMBL4112096 0.83 CCR5 (0.38) KMT2AKDM4ECCR5NPSR1TLR2
SCHEMBL4095981 0.82 CCR5 (0.37) GRIN2BCCR5
SCHEMBL4110058 0.82 MAPK1 (0.45) MAPK1ALDH1A1RAB9ANPC1SMN1; SMN2

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 MAPK1 1398/4885ALDH1A1 2179/4885RAB9A 621/4885

“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.