SCHEMBL13095460

SCHEMBL13095460

Cc1nc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cn3)cc(C(O)C(F)F)c2)no1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.47
P2RX3 P56373 5/20 0.46
P2RX2 Q9UBL9 3/20 0.46
DGAT2 Q96PD7 1/20 0.42
CYP2C9 P11712 3/20 0.41
UGT1A1 P22309 1/20 0.41
CNR2 P34972 7/20 0.37
GABRA5 P31644 1/20 0.37
ROCK2 O75116 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
AKT1 P31749 1/20 0.36
PRKG1 Q13976 1/20 0.36
MET P08581 1/20 0.35
CNR1 P21554 2/20 0.34

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
SCHEMBL13095449 0.90 P2RX3 (0.43) NR1I2P2RX3P2RX2DGAT2CYP2C9
SCHEMBL13092766 0.89 NR1I2 (0.48) NR1I2P2RX3P2RX2DGAT2CYP2C9
SCHEMBL13095435 0.87 P2RX3 (0.48) NR1I2P2RX3P2RX2DGAT2CYP2C9
SCHEMBL13095459 0.85 DGAT2 (0.43) DGAT2CNR2GABRA5ROCK2PRKACA
SCHEMBL21091897 0.82 P2RX3 (0.39) NR1I2P2RX3P2RX2GABRA5
SCHEMBL13092826 0.79 CYP2C9 (0.48) NR1I2P2RX3P2RX2DGAT2CYP2C9
SCHEMBL13095503 0.79 NR1I2 (0.50) NR1I2P2RX3P2RX2CYP2C9UGT1A1
SCHEMBL13092893 0.78 P2RX3 (0.50) NR1I2P2RX3P2RX2DGAT2CYP2C9
SCHEMBL21091899 0.77 KCNJ1 (0.39) NR1I2P2RX3P2RX2GABRA5
SCHEMBL13095442 0.77 P2RX3 (0.44) NR1I2P2RX3P2RX2DGAT2CYP2C9

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 2 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-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 NR1I2 598/4885P2RX3 1/4885P2RX2 3/4885

“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.