SCHEMBL4099334

SCHEMBL4099334

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
CCR5 P51681 2/20 0.44
PPARG P37231 3/20 0.43
MAPT P10636 5/20 0.42
RAB9A P51151 2/20 0.42
GRIN2B Q13224 1/20 0.42
POLB P06746 2/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARA Q07869 2/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL27704631 1.00 KMT2A (0.48) KMT2AMEN1CCR5PPARGMAPT
SCHEMBL27725167 0.90 KMT2A (0.49) KMT2AMEN1CCR5PPARGMAPT
SCHEMBL4099365 0.84 KMT2A (0.44) KMT2AMEN1CCR5PPARGMAPT
SCHEMBL27704637 0.84 KMT2A (0.43) KMT2AMEN1CCR5PPARGMAPT
SCHEMBL28769341 0.80 HTR2A (0.40) KMT2AMEN1CCR5PPARGMAPT
SCHEMBL4102092 0.78 CCR5 (0.44) KMT2AMEN1CCR5PPARGMAPT
SCHEMBL4104904 0.77 KMT2A (0.40) KMT2AMEN1CCR5PPARGCASP3
SCHEMBL4007806 0.77 RORC (0.60) MAOBKDM4E
SCHEMBL13809300 0.77 RORC (0.60) MAOBKDM4E
SCHEMBL4099033 0.76 HSD17B2 (0.37) KMT2AMEN1CCR5PPARGMAPT

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 KMT2A 3375/4885MEN1 3936/4885CCR5 1050/4885

“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.