SCHEMBL409619

SCHEMBL409619

COc1ccc(C(C)NC(=O)c2cc(-c3ccc(C)cc3)cc(-c3nccs3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
P2RX3 P56373 1/20 0.48
P2RX2 Q9UBL9 1/20 0.48
ROCK2 O75116 8/20 0.47
ROCK1 Q13464 8/20 0.47
PRKG1 Q13976 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
PRKACA P17612 2/20 0.46
CHEK1 O14757 1/20 0.46
RPS6KA5 O75582 1/20 0.46
PRKCG P05129 1/20 0.46
CDK1 P06493 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
MAPK1 P28482 1/20 0.46
AKT2 P31751 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL10187960 1.00 CNR1 (0.49) CNR1P2RX3P2RX2ROCK2ROCK1
SCHEMBL407659 0.82
SCHEMBL409512 0.80 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL407536 0.80 P2RX3 (0.50) P2RX3P2RX2
SCHEMBL407779 0.80
SCHEMBL409511 0.80 TP53 (0.45) P2RX3P2RX2
SCHEMBL408167 0.78 SMPD3 (0.46)
SCHEMBL410232 0.78 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL10242960 0.76 EPHX2 (0.48) CNR1P2RX3P2RX2TAS1R3TAS1R1
SCHEMBL10242950 0.76 EPHX2 (0.48) CNR1P2RX3P2RX2TAS1R3TAS1R1

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-7786110-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2010-08-31 US claimed
US-20120022067-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI (CN) 2012-01-26 US disclosed
EP-2091927-B1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
US-20080132494-A1 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-06-05 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-20120022067-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 CNR1 365/4885P2RX3 1/4885P2RX2 2/4885
US-20080132494-A1 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX1 CNR1 365/4885P2RX3 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.