SCHEMBL1379498

SCHEMBL1379498

CC(=O)N[C@@H]1COC(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.51
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MTNR1B P49286 1/20 0.39
ATM Q13315 2/20 0.38
HTT P42858 1/20 0.38
TLR4 O00206 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
PDE5A O76074 1/20 0.35
CA9 Q16790 1/20 0.34

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
SCHEMBL1379501 1.00 MTNR1A (0.51) MTNR1AALDH1A1KDM4EMTNR1BATM
SCHEMBL1504120 0.82 HTT (0.39) MTNR1AHTTPDE5A
SCHEMBL3861339 0.82 HTT (0.39) MTNR1AHTTPDE5A
SCHEMBL64217 0.82 HTT (0.39) MTNR1AHTTPDE5A
SCHEMBL20464506 0.79 ALDH1A1 (0.39) MTNR1AALDH1A1HTT
SCHEMBL2936974 0.78 GAA (0.53) CA1CA2
SCHEMBL3307631 0.78 GAA (0.53) CA1CA2
SCHEMBL9846492 0.78 GAA (0.53) CA1CA2
SCHEMBL1333586 0.74
SCHEMBL16281184 0.74

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562009-B2 Process to manufacture N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxo-pyrrolidin-3-yl]acetamide HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US claimed
US-20160237032-A1 PROCESS TO MANUFACTURE N-[(3S)-1-[4-[(3-FLUOROPHENYL)METHOXY]PHENYL]-5-OXO-PYRROLIDIN-3-YL]ACETAMIDE HOFFMANN-LA ROCHE INC. (US) 2016-08-18 US claimed
JP-4796620-B2 2011-10-19 JP claimed
US-7485731-B2 Method for preparing enantiomerically pure 4-pyrrolidinophenylbenzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-03 US claimed
EP-1861362-B1 METHOD FOR PREPARING ENANTIOMERICALLY PURE 4-PYRROLIDINOPHENYL, BENZYL, ETHER DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-26 EP claimed
EP-1861362-A1 METHOD FOR PREPARING ENANTIOMERICALLY PURE 4-PYRROLIDINOPHENYL, BENZYL, ETHER DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-12-05 EP claimed
WO-2006097197-A1 METHOD FOR PREPARING ENANTIOMERICALLY PURE 4-PYRROLIDINOPHENYL, BENZYL, ETHER DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-09-21 WO claimed
US-20060211869-A1 Method for preparing enantiomerically pure 4-pyrrolidinophenylbenzyl ether derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-21 US claimed
US-9562009-B2 Process to manufacture N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxo-pyrrolidin-3-yl]acetamide HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US disclosed
WO-2016177686-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2016-11-10 WO disclosed
US-20160237032-A1 PROCESS TO MANUFACTURE N-[(3S)-1-[4-[(3-FLUOROPHENYL)METHOXY]PHENYL]-5-OXO-PYRROLIDIN-3-YL]ACETAMIDE HOFFMANN-LA ROCHE INC. (US) 2016-08-18 US disclosed
US-7485731-B2 Method for preparing enantiomerically pure 4-pyrrolidinophenylbenzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-03 US disclosed
EP-1861362-B1 METHOD FOR PREPARING ENANTIOMERICALLY PURE 4-PYRROLIDINOPHENYL, BENZYL, ETHER DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-26 EP disclosed
EP-1861362-A1 METHOD FOR PREPARING ENANTIOMERICALLY PURE 4-PYRROLIDINOPHENYL, BENZYL, ETHER DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-12-05 EP disclosed
WO-2006097197-A1 METHOD FOR PREPARING ENANTIOMERICALLY PURE 4-PYRROLIDINOPHENYL, BENZYL, ETHER DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-09-21 WO disclosed
US-20060211869-A1 Method for preparing enantiomerically pure 4-pyrrolidinophenylbenzyl ether derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-21 US 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 (2 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-20160237032-A1 PROCESS TO MANUFACTURE N-[(3S)-1-[4-[(3-FLUOROPHENYL)METHOXY]PHENYL]-5-OXO-PYRROLIDIN-3-YL]ACETAMIDE NANS, PFAS, ALDH18A1 MTNR1A 3970/4885ALDH1A1 177/4885KDM4E 716/4885
US-20060211869-A1 Method for preparing enantiomerically pure 4-pyrrolidinophenylbenzyl ether derivatives CYP4B1, CYP3A4, IL4 MTNR1A 3392/4885ALDH1A1 1354/4885KDM4E 66/4885

“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.