SCHEMBL2185262

SCHEMBL2185262

Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(N3CCCC3=O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.51
P2RX2 Q9UBL9 4/20 0.51
KIT P10721 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 1/20 0.48
GALR3 O60755 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KLKB1 P03952 1/20 0.45
WDR5 P61964 2/20 0.45
USP2 O75604 1/20 0.43

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
SCHEMBL2171537 0.98 P2RX3 (0.51) P2RX3P2RX2KITSMN1; SMN2L3MBTL1
SCHEMBL2186317 0.91 P2RX3 (0.49) P2RX3P2RX2KITSMN1; SMN2L3MBTL1
SCHEMBL16203107 0.90 P2RX3 (0.56) P2RX3P2RX2SMN1; SMN2L3MBTL1LMNA
SCHEMBL2190640 0.90 P2RX3 (0.49) P2RX3P2RX2KITSMN1; SMN2L3MBTL1
SCHEMBL2171509 0.89 NPC1 (0.52) P2RX3P2RX2KITL3MBTL1LMNA
SCHEMBL2248955 0.88 P2RX3 (0.46) P2RX3P2RX2KITSMN1; SMN2L3MBTL1
SCHEMBL2185268 0.88 P2RX3 (0.49) P2RX3P2RX2L3MBTL1WDR5
SCHEMBL2186337 0.87 P2RX3 (0.49) P2RX3P2RX2WDR5
SCHEMBL2171732 0.83 NPC1 (0.53) P2RX3P2RX2KITL3MBTL1LMNA
SCHEMBL2382517 0.82 WDR5 (0.57) WDR5

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 240/4885KIT 3851/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B P2RX3 219/4885P2RX2 259/4885KIT 3636/4885

“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.