SCHEMBL3333492

SCHEMBL3333492

NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.56
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CAPN1 P07384 3/20 0.43
SIRT1 Q96EB6 1/20 0.42
MAOB P27338 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39

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
SCHEMBL1005866 0.89 P2RX7 (0.58) P2RX7CYP2C9CYP2C19CAPN1EHMT2
SCHEMBL1190522 0.89 P2RX7 (0.58) P2RX7CYP2C9CYP2C19CAPN1EHMT2
SCHEMBL311394 0.89 P2RX7 (0.58) P2RX7CYP2C9CYP2C19CAPN1EHMT2
SCHEMBL6179978 0.87 P2RX7 (0.57) P2RX7CYP2C9CYP2C19CAPN1EHMT2
SCHEMBL6179972 0.87 P2RX7 (0.57) P2RX7CYP2C9CYP2C19CAPN1EHMT2
SCHEMBL10215490 0.86 P2RX7 (0.56) P2RX7EHMT2HCRTR1HCRTR2KMT2A
SCHEMBL3337871 0.84 P2RX7 (0.57) P2RX7HCRTR1HCRTR2KMT2AMEN1
SCHEMBL10270030 0.84 P2RX7 (0.57) P2RX7HCRTR1HCRTR2KMT2AMEN1
SCHEMBL2907566 0.83 P2RX7 (0.53) P2RX7CYP2C19EHMT2HCRTR1HCRTR2
SCHEMBL1189916 0.83 P2RX7 (0.53) P2RX7CYP2C19EHMT2HCRTR1HCRTR2

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
US-20100144727-A1 Oxazolidine and Morpholine Carboxamide Derivatives as P2X7 Modulators BESWICK PAUL JOHN 2010-06-10 US disclosed
EP-2139875-A2 OXAZOLIDINE AND MORPHOLINE CARBOXAMIDE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008119685-A2 OXAZOLIDINE AND MORPHOLINE CARBOXAMIDE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
CN-1059339-A New quinoline carboxylic acid derivative, the antiseptic-germicide that contains them and their method for making KANEBO LTD (JP) 1992-03-11 CN 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-20100144727-A1 Oxazolidine and Morpholine Carboxamide Derivatives as P2X7 Modulators P2RX5, P2RX3, P2RX7 P2RX7 3/4885CYP2C9 598/4885CYP2C19 622/4885

“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.