SCHEMBL1069831

SCHEMBL1069831

Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cn3)cc(/C(Cl)=N/O)c2)nc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.70
P2RX3 P56373 13/20 0.68
P2RX2 Q9UBL9 12/20 0.68
CYP2C9 P11712 2/20 0.57
UGT1A1 P22309 1/20 0.57
B3GNT2 Q9NY97 1/20 0.41

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
SCHEMBL1069834 1.00 NR1I2 (0.70) NR1I2P2RX3P2RX2CYP2C9UGT1A1
SCHEMBL1073422 0.84 NR1I2 (0.69) NR1I2P2RX3P2RX2CYP2C9UGT1A1
SCHEMBL1073431 0.84 NR1I2 (0.69) NR1I2P2RX3P2RX2CYP2C9UGT1A1
SCHEMBL1069832 0.83 NR1I2 (0.72) NR1I2P2RX3P2RX2CYP2C9UGT1A1
SCHEMBL1069239 0.82 NR1I2 (0.71) NR1I2P2RX3P2RX2CYP2C9UGT1A1
SCHEMBL13092840 0.81 NR1I2 (0.83) NR1I2P2RX3P2RX2CYP2C9UGT1A1
SCHEMBL3063186 0.81 NR1I2 (0.71) NR1I2P2RX3P2RX2CYP2C9UGT1A1
SCHEMBL3063687 0.81 NR1I2 (0.71) NR1I2P2RX3P2RX2CYP2C9UGT1A1
SCHEMBL3063691 0.81 NR1I2 (0.71) NR1I2P2RX3P2RX2CYP2C9UGT1A1
SCHEMBL3063281 0.81 P2RX3 (1.00) NR1I2P2RX3P2RX2CYP2C9UGT1A1

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
EP-2215048-B1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2015-10-28 EP disclosed
US-8461185-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-20110003822-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-01-06 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-20110003822-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.