SCHEMBL2172363

SCHEMBL2172363

CCC(COC)NC(=O)c1cc(-c2ccc(C)cn2)cc(-c2cccc(F)c2F)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 8/20 0.49
P2RX2 Q9UBL9 7/20 0.49
NR1I2 O75469 3/20 0.49
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
CTSA P10619 2/20 0.41
CYP2C9 P11712 2/20 0.39
UGT1A1 P22309 1/20 0.39
GABRA5 P31644 1/20 0.38
CNR1 P21554 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
SCHEMBL2171032 0.93 P2RX3 (0.49) P2RX3P2RX2NR1I2CTSACYP2C9
SCHEMBL2171499 0.83 P2RX3 (0.61) P2RX3P2RX2NR1I2
SCHEMBL7947489 0.82 P2RX3 (0.50) P2RX3P2RX2NR1I2CTSACYP2C9
SCHEMBL2170986 0.81 NR1I2 (0.45) P2RX3P2RX2NR1I2CTSAGABRA5
SCHEMBL2171650 0.81 TAS1R3 (0.45) P2RX3P2RX2NR1I2TAS1R3TAS1R1
SCHEMBL2171034 0.80 P2RX3 (0.39) P2RX3P2RX2NR1I2CTSAGABRA5
SCHEMBL2187309 0.79 P2RX3 (0.56) P2RX3P2RX2NR1I2CTSACYP2C9
SCHEMBL2172956 0.78 NR1I2 (0.45) P2RX3P2RX2NR1I2CTSA
SCHEMBL2171462 0.76 P2RX3 (0.53) P2RX3P2RX2NR1I2
SCHEMBL2171457 0.76 P2RX3 (0.53) P2RX3P2RX2NR1I2

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.