SCHEMBL452255

SCHEMBL452255

Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)nc3)cc3[nH]nnc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.54
CYP2C9 P11712 1/20 0.54
P2RX3 P56373 16/20 0.48
P2RX2 Q9UBL9 16/20 0.48
PPARG P37231 1/20 0.44
ROCK2 O75116 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL12830809 0.75 NR1I2 (0.61) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL1495440 0.75 NR1I2 (0.61) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL451623 0.74 NR1I2 (0.55) NR1I2CYP2C9P2RX3P2RX2PPARG
SCHEMBL1495392 0.73 NR1I2 (0.57) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL12757538 0.73 NR1I2 (0.57) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL1495600 0.72 NR1I2 (0.56) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL1495603 0.72 NR1I2 (0.56) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL12256367 0.72 NR1I2 (0.56) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL452273 0.72 ALPL (0.46) MAPK1
SCHEMBL1495399 0.71 NR1I2 (0.56) NR1I2CYP2C9P2RX3P2RX2PPARG

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 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.