SCHEMBL310728

SCHEMBL310728

Cc1ccc(-c2cc(I)cc(C(=O)NC(C)CN3CCOCC3)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.68
P2RX2 Q9UBL9 2/20 0.68
HDAC4 P56524 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL1495367 0.85 P2RX3 (0.65) P2RX3P2RX2HDAC4HDAC6L3MBTL1
SCHEMBL13014788 0.84 P2RX3 (0.61) P2RX3P2RX2HDAC4HDAC6
SCHEMBL10187943 0.84 P2RX3 (0.73) P2RX3P2RX2HDAC4HDAC6L3MBTL1
SCHEMBL405831 0.84 P2RX3 (0.73) P2RX3P2RX2HDAC4HDAC6L3MBTL1
SCHEMBL406256 0.82 P2RX3 (0.73) P2RX3P2RX2HDAC4HDAC6L3MBTL1
SCHEMBL12757547 0.82 P2RX3 (0.61) P2RX3P2RX2HDAC4HDAC6L3MBTL1
SCHEMBL13774506 0.82 P2RX3 (0.66) P2RX3P2RX2HDAC4HDAC6L3MBTL1
SCHEMBL406888 0.82 P2RX3 (0.73) P2RX3P2RX2HDAC4HDAC6L3MBTL1
SCHEMBL10225823 0.81 P2RX3 (0.62) P2RX3P2RX2HDAC4HDAC6L3MBTL1
SCHEMBL10243057 0.81 P2RX3 (0.62) P2RX3P2RX2HDAC4HDAC6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083500-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X 2/3 ANTAGONISTS CHEN LI (CN) 2012-04-05 US disclosed
US-8119644-B2 Thiadiazole-substituted arylamides as P2X3 and P2X2/3 antagonists Roche Palo Alto LLP (US) 2012-02-21 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
EP-2379518-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
US-20110245271-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC. 2011-10-06 US disclosed
US-7989637-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2011-08-02 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-20120083500-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X 2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885HDAC4 3407/4885
US-20110245271-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885HDAC4 2256/4885

“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.