SCHEMBL3367424

SCHEMBL3367424

O=C(O)[C@H]1CC(=O)N(c2ccc(O)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.67
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
CA4 P22748 3/20 0.67
CA7 P43166 3/20 0.67
CA9 Q16790 3/20 0.67
CA14 Q9ULX7 3/20 0.67
CA5B Q9Y2D0 3/20 0.67
CA6 P23280 2/20 0.67
TSHR P16473 2/20 0.64
RECQL P46063 1/20 0.60
KMT2A Q03164 2/20 0.59
POLB P06746 1/20 0.59
GRK2 P25098 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
GLA P06280 1/20 0.57
HPGD P15428 2/20 0.54
FFAR1 O14842 1/20 0.54
MAPT P10636 1/20 0.54
PTPN1 P18031 1/20 0.53

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
SCHEMBL1776720 1.00 CA12 (0.67) CA12CA1CA2CA4CA7
SCHEMBL3365962 1.00 CA12 (0.67) CA12CA1CA2CA4CA7
SCHEMBL20676025 0.93 CA12 (0.74) CA12CA1CA2CA4CA7
SCHEMBL20116495 0.86 CA12 (0.66) CA12CA1CA2CA4CA7
SCHEMBL892508 0.86 CA12 (0.66) CA12CA1CA2CA4CA7
SCHEMBL17967205 0.85 RECQL (0.72) CA12CA1CA2CA4CA7
SCHEMBL895795 0.85 TSHR (0.67) CA12CA1CA2CA4CA7
SCHEMBL20676027 0.85 CA12 (0.65) CA12CA1CA2CA4CA7
SCHEMBL2766820 0.85 RXFP1 (0.68) CA12CA1CA2CA4CA7
SCHEMBL2221436 0.85 TSHR (0.71) CA12CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148362-B2 Process for the preparation of enantiopure pyrrolidin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-12 US claimed
EP-1664323-A1 ENZYMATIC SYNTHESIS OF ENATIOPURE INTERMEDIATES BY MEANS OF CHOLESTEROLESTERASE FROM YEASTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP claimed
US-20050065204-A1 Process for the preparation of enantiopure pyrrolidin-2-one derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 US claimed
WO-2005026373-A1 ENZYMATIC SYNTHESIS OF ENATIOPURE INTERMEDIATES BY MEANS OF CHOLESTEROLESTERASE FROM YEASTS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 WO claimed
EP-1542970-B1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
US-20070032542-A1 Process for the preparation of enantiopure pyrrolidin-2-one derivatives IDING HANS 2007-02-08 US disclosed
US-7151111-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-7148362-B2 Process for the preparation of enantiopure pyrrolidin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-12 US disclosed
EP-1664323-A1 ENZYMATIC SYNTHESIS OF ENATIOPURE INTERMEDIATES BY MEANS OF CHOLESTEROLESTERASE FROM YEASTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP disclosed
EP-1542970-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-22 EP disclosed
WO-2005026373-A1 ENZYMATIC SYNTHESIS OF ENATIOPURE INTERMEDIATES BY MEANS OF CHOLESTEROLESTERASE FROM YEASTS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 WO disclosed
US-20050065204-A1 Process for the preparation of enantiopure pyrrolidin-2-one derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 US disclosed
US-20040116707-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
WO-2004026825-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO 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-20050065204-A1 Process for the preparation of enantiopure pyrrolidin-2-one derivatives MAOB, MAOA, CYP1B1 CA12 4536/4885CA1 4459/4885CA2 4203/4885
US-20070032542-A1 Process for the preparation of enantiopure pyrrolidin-2-one derivatives MAOB, MAOA, CYP1B1 CA12 4536/4885CA1 4459/4885CA2 4203/4885

“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.