SCHEMBL2171994

SCHEMBL2171994

COCC(CO)NC(=O)c1cc(-c2ccc(C)cn2)cc(-c2cc(C)ccc2C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.46
P2RX2 Q9UBL9 10/20 0.46
NR1I2 O75469 2/20 0.40
S1PR3 Q99500 3/20 0.38
S1PR1 P21453 1/20 0.37

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
SCHEMBL2171650 0.93 TAS1R3 (0.45) P2RX3P2RX2NR1I2S1PR3S1PR1
SCHEMBL2171681 0.86 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL2171032 0.81 P2RX3 (0.49) P2RX3P2RX2NR1I2
SCHEMBL2172000 0.80 S1PR3 (0.40) P2RX3P2RX2S1PR3S1PR1
SCHEMBL2173127 0.78 XDH (0.43) P2RX3P2RX2S1PR3
SCHEMBL2171259 0.78 P2RX3 (0.55) P2RX3P2RX2NR1I2
SCHEMBL2170838 0.77 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL2185140 0.76 P2RX3 (0.53) P2RX3P2RX2
SCHEMBL2172363 0.74 P2RX3 (0.49) P2RX3P2RX2NR1I2
SCHEMBL2171685 0.73 S1PR3 (0.42) P2RX3P2RX2NR1I2S1PR3S1PR1

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
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
EP-2346825-A2 MODULATORS OF P2X3 RECEPTOR ACTIVITY Evotec AG (DE) 2011-07-27 EP 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 (2 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-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF ADORA2B, IL1B, AVPR1B P2RX3 207/4885P2RX2 240/4885NR1I2 400/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B P2RX3 219/4885P2RX2 259/4885NR1I2 461/4885

“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.