SCHEMBL998728

SCHEMBL998728

Cc1ccc([C@H](N)CCO)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX2 Q9UBL9 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
P2RX7 Q99572 3/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
PTGS2 P35354 1/20 0.31
SLC2A1 P11166 1/20 0.31

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
SCHEMBL998729 1.00 P2RX3 (0.37) P2RX3ADRA2AADRA2BADRA2CMEN1
SCHEMBL20184239 0.85 ADRA2A (0.39) ADRA2AADRA2BADRA2CMEN1LMNA
SCHEMBL2760888 0.85 ADRA2A (0.39) ADRA2AADRA2BADRA2CMEN1LMNA
SCHEMBL14480428 0.85 ADRA2A (0.39) ADRA2AADRA2BADRA2CMEN1LMNA
Hydrochloric Acid SCHEMBL1440347 0.84 ADRA2A (0.41) P2RX3ADRA2AADRA2BADRA2CMEN1
Hydrochloric Acid SCHEMBL1440350 0.84 ADRA2A (0.41) P2RX3ADRA2AADRA2BADRA2CMEN1
Hydrochloric Acid SCHEMBL1440719 0.84 ADRA2A (0.41) P2RX3ADRA2AADRA2BADRA2CMEN1
SCHEMBL2863572 0.79 SLC6A4 (0.46) ADRA2AADRA2BADRA2CMEN1LMNA
SCHEMBL2674305 0.79 SLC6A4 (0.46) ADRA2AADRA2BADRA2CMEN1LMNA
SCHEMBL22691200 0.79 CYP3A4 (0.40) ADRA2AADRA2BADRA2C

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 31 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
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
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
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
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO 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 (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-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof CNR2, CNR1, CBR1 P2RX3 335/4885ADRA2A 559/4885ADRA2B 1050/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B P2RX3 219/4885ADRA2A 234/4885ADRA2B 55/4885

“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.