SCHEMBL3070764

SCHEMBL3070764

C[C@@H](NC(=O)c1cc(-c2ccc(F)cn2)cc(C(O)C(F)(F)F)c1)c1ccc(C(F)(F)F)[n+]([O-])c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.64
CYP2C9 P11712 3/20 0.64
DGAT2 Q96PD7 1/20 0.47
NR1I2 O75469 3/20 0.47
P2RX2 Q9UBL9 2/20 0.42
ROCK2 O75116 6/20 0.37
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
AKT1 P31749 1/20 0.37
PRKG1 Q13976 1/20 0.37
UGT1A1 P22309 1/20 0.37
ROCK1 Q13464 4/20 0.36
WDR5 P61964 2/20 0.36
PTGER4 P35408 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PHGDH O43175 1/20 0.34
GABRA5 P31644 1/20 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
SCHEMBL3070767 1.00 P2RX3 (0.64) P2RX3CYP2C9DGAT2NR1I2P2RX2
SCHEMBL13092889 0.94 P2RX3 (0.65) P2RX3CYP2C9DGAT2NR1I2P2RX2
SCHEMBL13095509 0.92 P2RX3 (0.64) P2RX3CYP2C9DGAT2NR1I2P2RX2
SCHEMBL16504274 0.92 P2RX3 (0.63) P2RX3CYP2C9DGAT2NR1I2P2RX2
SCHEMBL21092146 0.92 P2RX3 (0.54) P2RX3CYP2C9DGAT2NR1I2P2RX2
SCHEMBL21092175 0.92 P2RX3 (0.54) P2RX3CYP2C9DGAT2NR1I2P2RX2
SCHEMBL13092820 0.91 P2RX3 (0.78) P2RX3CYP2C9DGAT2NR1I2P2RX2
SCHEMBL13092817 0.91 P2RX3 (0.53) P2RX3CYP2C9DGAT2NR1I2P2RX2
SCHEMBL13095510 0.90 P2RX3 (0.60) P2RX3CYP2C9DGAT2NR1I2P2RX2
SCHEMBL16504280 0.88 P2RX3 (0.59) P2RX3CYP2C9DGAT2NR1I2P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP claimed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US claimed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US claimed
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
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
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 1/4885CYP2C9 4126/4885DGAT2 3948/4885

“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.