SCHEMBL2186337

SCHEMBL2186337

Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(N3CCNCC3=O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.49
P2RX2 Q9UBL9 5/20 0.49
WDR5 P61964 3/20 0.46
AKR1C3 P42330 7/20 0.43
AKR1C4 P17516 5/20 0.43
AKR1C2 P52895 5/20 0.43
AKR1C1 Q04828 2/20 0.43
HDAC1 Q13547 1/20 0.41
PIK3CA P42336 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
SCHEMBL7950915 0.89 WDR5 (0.43) P2RX3P2RX2WDR5AKR1C3HDAC1
SCHEMBL2171537 0.87 P2RX3 (0.51) P2RX3P2RX2WDR5AKR1C3AKR1C4
SCHEMBL2185262 0.87 P2RX3 (0.51) P2RX3P2RX2WDR5
SCHEMBL2185479 0.87 WDR5 (0.41) P2RX3P2RX2WDR5AKR1C3
SCHEMBL2185268 0.85 P2RX3 (0.49) P2RX3P2RX2WDR5AKR1C3AKR1C4
SCHEMBL12757573 0.81 WDR5 (0.49) P2RX3P2RX2WDR5AKR1C3AKR1C4
SCHEMBL2382517 0.80 WDR5 (0.57) WDR5AKR1C3AKR1C4AKR1C2AKR1C1
SCHEMBL2190640 0.79 P2RX3 (0.49) P2RX3P2RX2AKR1C3AKR1C4AKR1C2
SCHEMBL2171509 0.78 NPC1 (0.52) P2RX3P2RX2
SCHEMBL2185452 0.78 P2RX3 (0.42) P2RX3P2RX2WDR5AKR1C3

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 9 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
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 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-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF ADORA2B, IL1B, AVPR1B P2RX3 207/4885P2RX2 240/4885WDR5 1917/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B P2RX3 219/4885P2RX2 259/4885WDR5 1801/4885

“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.