SCHEMBL996951

SCHEMBL996951

NC(CCO)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
P2RX7 Q99572 9/20 0.41
P2RX3 P56373 6/20 0.39
P2RX2 Q9UBL9 4/20 0.36
DAO P14920 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIK3CA P42336 1/20 0.35
KCNH2 Q12809 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
TKT P29401 1/20 0.35

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
SCHEMBL996950 1.00 TRPV4 (0.42) TRPV4P2RX7P2RX3P2RX2DAO
SCHEMBL997506 1.00 TRPV4 (0.42) TRPV4P2RX7P2RX3P2RX2DAO
SCHEMBL1495740 0.87 TRPV4 (0.44) TRPV4P2RX7DAO
SCHEMBL14480168 0.87 TRPV4 (0.44) TRPV4P2RX7DAO
SCHEMBL1495742 0.87 TRPV4 (0.44) TRPV4P2RX7DAO
Hydrochloric Acid SCHEMBL14480211 0.85 TRPV4 (0.43) TRPV4P2RX7DAO
Hydrochloric Acid SCHEMBL14480213 0.85 TRPV4 (0.43) TRPV4P2RX7DAO
SCHEMBL15157216 0.84 TRPV4 (0.42) TRPV4P2RX7P2RX3DAOGPR139
SCHEMBL2795078 0.81 TRPV4 (0.42) TRPV4P2RX7P2RX3P2RX2TKT
SCHEMBL2870140 0.80 TRPV4 (0.44) TRPV4P2RX7P2RX3DAOGPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136639-B1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2016-03-09 EP disclosed
EP-2136639-B1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2016-03-09 EP disclosed
EP-2262766-B1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-11-11 EP 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-8653091-B2 Pyrid-2yl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2014-02-18 US disclosed
US-8653091-B2 Pyrid-2yl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2014-02-18 US disclosed
US-8653091-B2 Pyrid-2yl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2014-02-18 US disclosed
EP-2139334-B1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2013-07-03 EP disclosed
EP-2139334-B1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2013-07-03 EP disclosed
US-20110009432-A1 PYRID-2YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-01-13 US disclosed
EP-2139334-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-01-06 EP disclosed
EP-2136639-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2009-12-30 EP disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 WO disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 WO disclosed
WO-2008123963-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-16 WO disclosed
WO-2008123963-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-16 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 (3 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-20110009432-A1 PYRID-2YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF IL1B, C5, HTR2C TRPV4 2607/4885P2RX7 70/4885P2RX3 82/4885
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof CNR2, CNR1, CBR1 TRPV4 2831/4885P2RX7 419/4885P2RX3 335/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B TRPV4 3855/4885P2RX7 252/4885P2RX3 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.