SCHEMBL3363897

SCHEMBL3363897

Cc1cc(N2C[C@@H](C(=O)O)CC2=O)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.74
CA12 O43570 5/20 0.64
CA1 P00915 5/20 0.64
CA2 P00918 5/20 0.64
CA4 P22748 5/20 0.64
CA7 P43166 5/20 0.64
CA9 Q16790 5/20 0.64
CA5B Q9Y2D0 5/20 0.64
CA14 Q9ULX7 4/20 0.64
CA13 Q8N1Q1 4/20 0.64
CA6 P23280 4/20 0.64
CA5A P35218 1/20 0.64
RECQL P46063 1/20 0.63
TSHR P16473 2/20 0.63
GRK2 P25098 1/20 0.59
KMT2A Q03164 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
MAPT P10636 2/20 0.57
CA3 P07451 1/20 0.52
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL3363893 1.00 POLB (0.74) POLBCA12CA1CA2CA4
SCHEMBL20116457 0.89 POLB (0.78) POLBCA12CA1CA2CA4
SCHEMBL3366104 0.85 CA1 (0.67) POLBCA12CA1CA2CA4
SCHEMBL3366098 0.85 CA1 (0.67) POLBCA12CA1CA2CA4
SCHEMBL26603162 0.85 TSHR (0.78) POLBCA12CA1CA2CA4
SCHEMBL26603140 0.85 POLB (0.72) POLBCA12CA1CA2CA4
SCHEMBL27542034 0.83 POLB (0.69) POLBCA12CA1CA2CA4
SCHEMBL8085608 0.82 TSHR (0.78) POLBCA12CA1CA2CA4
SCHEMBL30625999 0.82 POLB (0.68) POLBCA12CA1CA2CA4
SCHEMBL12959507 0.82 POLB (0.68) POLBCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542969-B1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2010-03-03 EP disclosed
US-7122562-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-17 US disclosed
US-20060122235-A1 Amine oxidase inhibitor; use in treating Alzheimer's disease; for example, (RS)-1-[6-(4-fluoro-benzyloxy)-pyridin-3-yl]-5-oxo-pyrrolidine-3-carboxylic acid methylamide IDING HANS 2006-06-08 US disclosed
US-7037935-B2 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-02 US disclosed
US-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-03 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-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives MAOB, MAOA, COMT POLB 90/4885CA12 4878/4885CA1 3797/4885
US-20060122235-A1 Amine oxidase inhibitor; use in treating Alzheimer's disease; for example, (RS)-1-[6-(4-fluoro-benzyloxy)-pyridin-3-yl]-5-oxo-pyrrolidine-3-carboxylic acid methylamide MAOA, MAOB, PNPO POLB 368/4885CA12 4861/4885CA1 3194/4885

“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.