SCHEMBL3073069

SCHEMBL3073069

Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)cc(C(C)(C)O)c2)nc1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.81
CYP2C9 P11712 2/20 0.81
P2RX3 P56373 17/20 0.58
P2RX2 Q9UBL9 16/20 0.50
B3GNT2 Q9NY97 1/20 0.45

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
SCHEMBL13092848 0.92 NR1I2 (0.69) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL13092621 0.85 NR1I2 (0.60) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL12962633 0.82 NR1I2 (0.56) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL28758890 0.81 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL29618652 0.81 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL28758891 0.81 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL3063183 0.81 NR1I2 (0.54) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL21091902 0.80 CYP2C9 (0.82) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL3070647 0.79 NR1I2 (0.67) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL12757763 0.79 NR1I2 (0.61) NR1I2CYP2C9P2RX3P2RX2B3GNT2

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 12 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
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-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
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
WO-2009058298-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-05-07 WO 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 598/4885CYP2C9 4126/4885P2RX3 1/4885

“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.