SCHEMBL12199764

SCHEMBL12199764

O=C(NC1CC1)c1cc(-c2ccc(Cl)cn2)cc(-n2ncnc2C2CCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44
GABRA5 P31644 2/20 0.39
CNR1 P21554 5/20 0.38
CNR2 P34972 1/20 0.37
MAPK13 O15264 2/20 0.36
SMYD3 Q9H7B4 1/20 0.36
P2RX7 Q99572 2/20 0.36
MAP4K4 O95819 1/20 0.35
HPGDS O60760 2/20 0.35
ITGA5 P08648 1/20 0.35
PIK3CD O00329 1/20 0.35
EPHX2 P34913 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2271127 0.89 P2RX3 (0.56) P2RX3P2RX2MAPK13
SCHEMBL12199787 0.85 P2RX3 (0.48) P2RX3P2RX2MAP4K4
SCHEMBL2278497 0.84 P2RX3 (0.50) P2RX3P2RX2GABRA5CNR1CNR2
SCHEMBL2269507 0.84 P2RX3 (0.46) P2RX3P2RX2GABRA5CNR1CNR2
SCHEMBL4326461 0.83 P2RX3 (0.44) P2RX3P2RX2GABRA5CNR1CNR2
SCHEMBL2270953 0.82 P2RX3 (0.46) P2RX3P2RX2GABRA5CNR1CNR2
SCHEMBL11990756 0.78 P2RX3 (0.49) P2RX3P2RX2GABRA5CNR1P2RX7
SCHEMBL357544 0.78 P2RX3 (0.49) P2RX3P2RX2GABRA5MAPK13ITGA5
SCHEMBL2279648 0.76 P2RX3 (0.60) P2RX3P2RX2NPC1RAB9A
SCHEMBL4321394 0.76 P2RX3 (0.43) P2RX3P2RX2GABRA5CNR1CNR2

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-8440708-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US disclosed
US-8440708-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US disclosed
US-20110245271-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC. 2011-10-06 US disclosed
US-20110245271-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC. 2011-10-06 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 (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-20110245271-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885GABRA5 459/4885

“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.