SCHEMBL1495525

SCHEMBL1495525

Cc1ccc(-c2cc(C(=O)NC(C)c3ccc(C)nc3)cc(C(=O)N3CCCC3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 8/20 0.47
P2RX2 Q9UBL9 8/20 0.47
NR1I2 O75469 1/20 0.42
CYP2C9 P11712 1/20 0.42
GRM5 P41594 3/20 0.41
VNN1 O95497 1/20 0.41

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
SCHEMBL1495739 1.00 P2RX3 (0.47) P2RX3P2RX2NR1I2CYP2C9GRM5
SCHEMBL12757606 1.00 P2RX3 (0.47) P2RX3P2RX2NR1I2CYP2C9GRM5
SCHEMBL1495665 0.92 P2RX3 (0.44) P2RX3P2RX2GRM5VNN1
SCHEMBL1495393 0.90 P2RX3 (0.44) P2RX3P2RX2GRM5
SCHEMBL12757555 0.90 P2RX3 (0.44) P2RX3P2RX2GRM5
SCHEMBL1495436 0.90 NR1I2 (0.54) P2RX3P2RX2NR1I2CYP2C9
SCHEMBL17109325 0.90 NR1I2 (0.54) P2RX3P2RX2NR1I2CYP2C9
SCHEMBL1495734 0.90 NR1I2 (0.54) P2RX3P2RX2NR1I2CYP2C9
SCHEMBL1495385 0.88 P2RX3 (0.44) P2RX3P2RX2
SCHEMBL12757538 0.88 NR1I2 (0.57) P2RX3P2RX2NR1I2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US claimed
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP claimed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO claimed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 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 (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-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B P2RX3 219/4885P2RX2 259/4885NR1I2 461/4885
US-20150266822-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.