SCHEMBL311641

SCHEMBL311641

Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(N3C(=O)OCC3(C)C)c2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 14/20 0.73
P2RX2 Q9UBL9 14/20 0.73

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
SCHEMBL2711353 0.86 P2RX3 (0.75) P2RX3P2RX2
SCHEMBL310994 0.84 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL311377 0.82 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL311855 0.81 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL310545 0.80 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL310546 0.80 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL310918 0.80 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL2710320 0.79 P2RX3 (0.71) P2RX3P2RX2
SCHEMBL310963 0.78 P2RX3 (0.88) P2RX3P2RX2
SCHEMBL310964 0.78 P2RX3 (0.88) P2RX3P2RX2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445889-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2012-05-02 EP claimed
US-8093275-B2 Oxazolone and pyrrolidinone-substituted pryidine amides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-01-10 US claimed
WO-2010149541-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 WO claimed
US-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-12-23 US claimed
US-20170056398-A1 SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-02 US disclosed
US-20170056398-A1 SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-02 US disclosed
US-20170056398-A1 SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-02 US disclosed
US-9512112-B2 Substituted pyridines as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2016-12-06 US disclosed
US-9512112-B2 Substituted pyridines as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2016-12-06 US disclosed
US-9512112-B2 Substituted pyridines as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2016-12-06 US disclosed
US-20140323499-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2014-10-30 US disclosed
US-20140323499-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2014-10-30 US disclosed
US-20120083500-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X 2/3 ANTAGONISTS CHEN LI (CN) 2012-04-05 US disclosed
US-8093275-B2 Oxazolone and pyrrolidinone-substituted pryidine amides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
US-8093275-B2 Oxazolone and pyrrolidinone-substituted pryidine amides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
US-8093275-B2 Oxazolone and pyrrolidinone-substituted pryidine amides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
WO-2010149541-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 WO disclosed
US-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-12-23 US disclosed
US-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-12-23 US disclosed
US-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-12-23 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 (4 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-20120083500-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X 2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885
US-20140323499-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885
US-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885
US-20170056398-A1 SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885

“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.