SCHEMBL1495795

SCHEMBL1495795

Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(C)nc3)cc(C(C)O)c2)nc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.59
CYP2C9 P11712 1/20 0.59
P2RX3 P56373 14/20 0.49
P2RX2 Q9UBL9 14/20 0.49

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
SCHEMBL27802688 1.00 NR1I2 (0.59) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL12757700 0.90 NR1I2 (0.56) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL27823357 0.89 NR1I2 (0.55) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL1495682 0.89 NR1I2 (0.55) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL17244507 0.88 NR1I2 (0.60) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL1495664 0.88 P2RX3 (0.50) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL1495819 0.86 NR1I2 (0.52) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL1495569 0.86 NR1I2 (0.52) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL27802683 0.86 NR1I2 (0.52) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL1495412 0.86 NR1I2 (0.52) NR1I2CYP2C9P2RX3P2RX2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US claimed
CN-104058999-A Amide Compounds, Compositions And Uses Thereof RENOVIS INC 2014-09-24 CN claimed
CN-101981003-B Amide compounds, compositions and uses thereof RENOVIS INC 2014-07-02 CN claimed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US claimed
CN-101981003-A Amide compounds, compositions and uses thereof RENOVIS INC 2011-02-23 CN 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-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-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
CN-101981003-B Amide compounds, compositions and uses thereof RENOVIS INC 2014-07-02 CN 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
CN-101981003-A Amide compounds, compositions and uses thereof RENOVIS INC 2011-02-23 CN disclosed
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 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 (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 NR1I2 461/4885CYP2C9 1604/4885P2RX3 219/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B NR1I2 461/4885CYP2C9 1604/4885P2RX3 219/4885

“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.