SCHEMBL12757641

SCHEMBL12757641

Cc1ccc(-c2cc(Oc3ncccn3)cc(C(=O)N[C@H](C)c3cnc(C)nc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 16/20 0.58
P2RX2 Q9UBL9 16/20 0.58
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PRKG1 Q13976 1/20 0.44

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
SCHEMBL1495593 0.90 P2RX3 (0.60) P2RX3P2RX2ROCK2ROCK1
SCHEMBL1495832 0.90 P2RX3 (0.60) P2RX3P2RX2ROCK2ROCK1
SCHEMBL12757690 0.89 P2RX3 (0.54) P2RX3P2RX2ROCK2CYP2C9PRKG1
SCHEMBL12757666 0.89 P2RX3 (0.56) P2RX3P2RX2
SCHEMBL1495455 0.85 P2RX3 (0.66) P2RX3P2RX2
SCHEMBL1495827 0.85 P2RX3 (0.66) P2RX3P2RX2
SCHEMBL12757673 0.85 P2RX3 (0.50) P2RX3P2RX2ROCK2ROCK1
SCHEMBL1495398 0.83 P2RX3 (0.74) P2RX3P2RX2
SCHEMBL12757638 0.81 AKR1C3 (0.47) P2RX3P2RX2ROCK2ROCK1CYP3A4
SCHEMBL12757689 0.80 P2RX3 (0.56) P2RX3P2RX2ROCK2CYP2C9PRKG1

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 6 patents. 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 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

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 259/4885ROCK2 2461/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B P2RX3 219/4885P2RX2 259/4885ROCK2 2461/4885

“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.