SCHEMBL406064

SCHEMBL406064

CC(CN1CCOCC1)NC(=O)c1cc(-c2nccs2)cc(-c2ccc(F)cc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.53
P2RX2 Q9UBL9 1/20 0.53
KCNH2 Q12809 2/20 0.43
HDAC4 P56524 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
CYP2D6 P10635 1/20 0.41
CCR3 P51677 1/20 0.41
WDR5 P61964 2/20 0.39
PLD2 O14939 4/20 0.38
PLD1 Q13393 4/20 0.38

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
SCHEMBL10187951 1.00 P2RX3 (0.53) P2RX3P2RX2KCNH2HDAC4HDAC6
SCHEMBL410343 0.88 P2RX3 (0.40) P2RX3P2RX2HDAC6CYP2D6CCR3
SCHEMBL10187947 0.88 P2RX3 (0.40) P2RX3P2RX2HDAC6CYP2D6CCR3
SCHEMBL10187941 0.86 P2RX3 (0.59) P2RX3P2RX2HDAC4HDAC6CYP2D6
SCHEMBL406067 0.86 P2RX3 (0.59) P2RX3P2RX2HDAC4HDAC6CYP2D6
SCHEMBL10187944 0.84 P2RX3 (0.53) P2RX3P2RX2HDAC4HDAC6WDR5
SCHEMBL409803 0.84 P2RX3 (0.53) P2RX3P2RX2HDAC4HDAC6WDR5
SCHEMBL406256 0.83 P2RX3 (0.73) P2RX3P2RX2HDAC4HDAC6
SCHEMBL406888 0.83 P2RX3 (0.73) P2RX3P2RX2HDAC4HDAC6
SCHEMBL10243226 0.79 P2RX3 (0.43) P2RX3P2RX2HDAC4HDAC6WDR5

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 3 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

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-20120022067-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885KCNH2 465/4885

“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.