SCHEMBL13095435

SCHEMBL13095435

Cc1noc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cn3)cc(C(O)C(F)F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.48
P2RX2 Q9UBL9 5/20 0.48
NR1I2 O75469 3/20 0.48
CYP2C9 P11712 2/20 0.43
UGT1A1 P22309 1/20 0.43
ROCK2 O75116 2/20 0.39
PRKG1 Q13976 2/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
AKT1 P31749 1/20 0.39
GABRA5 P31644 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
RIPK1 Q13546 1/20 0.37
KCNT1 Q5JUK3 2/20 0.35
KCNQ1 P51787 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
KCNMB1 Q16558 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
SCHEMBL13092893 0.92 P2RX3 (0.50) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL13095442 0.90 P2RX3 (0.44) P2RX3P2RX2NR1I2CYP2C9ROCK2
SCHEMBL13092767 0.89 NR1I2 (0.49) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL13104489 0.89 P2RX3 (0.47) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL13095460 0.87 NR1I2 (0.47) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL3070727 0.85 WDR5 (0.38) P2RX3P2RX2ROCK2PRKG1PRKACA
SCHEMBL21048472 0.85 WDR5 (0.38) P2RX3P2RX2ROCK2PRKG1PRKACA
SCHEMBL21091899 0.83 KCNJ1 (0.39) P2RX3P2RX2NR1I2GABRA5
SCHEMBL13095469 0.83 NR1I2 (0.50) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL13092729 0.80 NR1I2 (0.51) P2RX3P2RX2NR1I2CYP2C9UGT1A1

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-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 P2RX3 1/4885P2RX2 3/4885NR1I2 598/4885

“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.