SCHEMBL4099337

SCHEMBL4099337

COC(=O)c1ccc(C2[C@H](CN)[C@@H](c3ccccc3)CN2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
ATM Q13315 2/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4102094 0.77 CASR (0.42) GRIN2BMEN1KMT2ACYP3A4
SCHEMBL4099038 0.77 HSD17B2 (0.39) GRIN2BMEN1KMT2AKDM4EALDH1A1
SCHEMBL4104906 0.75 CASR (0.38) SIRT1
SCHEMBL13984796 0.73 TSHR (0.60) GRIN2BMEN1KMT2ATSHRHSD17B10
SCHEMBL31611736 0.73 TSHR (0.60) GRIN2BMEN1KMT2ATSHRHSD17B10
SCHEMBL4099334 0.69 KMT2A (0.48) GRIN2BMEN1KMT2ATSHRHSD17B10
Methyl Benzoate SCHEMBL27817850 0.66 TSHR (0.63) MEN1KMT2ATSHRALDH1A1HPGD
SCHEMBL24890834 0.66 KDM4E (0.55) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL24890814 0.66 KDM4E (0.55) TSHRHSD17B10KDM4EALDH1A1GAA
SCHEMBL187610 0.65 GRIN2B (0.52) GRIN2BTSHRHSD17B10KDM4EALDH1A1

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 1362/4885MEN1 3936/4885KMT2A 3375/4885

“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.