SCHEMBL451719

SCHEMBL451719

Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cn3)cn3c(-c4ccccc4)nnc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.47
P2RX2 Q9UBL9 4/20 0.47
NR1I2 O75469 2/20 0.47
CYP2C9 P11712 1/20 0.42
UGT1A1 P22309 1/20 0.42
PPARG P37231 3/20 0.37
CTSA P10619 3/20 0.36
PDE2A O00408 1/20 0.36
NPC1 O15118 1/20 0.35
B3GNT2 Q9NY97 1/20 0.35
PHGDH O43175 1/20 0.35
IDO1 P14902 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
SCHEMBL10237137 0.84 P2RX3 (0.47) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL13188962 0.82 CXCR4 (0.39) P2RX3P2RX2PDE2ANPC1
SCHEMBL453785 0.81 P2RX3 (0.49) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL452119 0.80 P2RX3 (0.51) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL451832 0.78 P2RX3 (0.43) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL455326 0.76 NR1H2 (0.41)
SCHEMBL454531 0.73 P2RX3 (0.53) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL455880 0.70 BRD9 (0.38) PDE2ANPC1
SCHEMBL15436236 0.69 NR1I2 (0.40) P2RX3P2RX2NR1I2CYP2C9UGT1A1
SCHEMBL451640 0.68 DGAT2 (0.48) P2RX3CYP2C9PPARGPHGDHIDO1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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-20120064181-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.