SCHEMBL2172820

SCHEMBL2172820

Cc1ncc(CCN)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.46
CYP2A6 P11509 2/20 0.46
CYP1A2 P05177 1/20 0.46
HRH1 P35367 2/20 0.45
HRH4 Q9H3N8 2/20 0.45
LOXL2 Q9Y4K0 2/20 0.41
CHRNA7 P36544 1/20 0.40
AKT2 P31751 1/20 0.39
HRH2 P25021 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTR2A P28223 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR3A P46098 1/20 0.36

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
Hydrochloric Acid SCHEMBL3890559 0.98 TAAR1 (0.44) TAAR1CYP2A6CYP1A2HRH1HRH4
SCHEMBL19441154 0.84 GRM2 (0.33) HRH1HRH4KDM4EL3MBTL1
SCHEMBL1274437 0.79
SCHEMBL423180 0.77 NPC1 (0.41) CYP1A2SMN1; SMN2TDP1KDM4EALDH1A1
SCHEMBL19219146 0.76 NOS2 (0.36) CYP1A2TDP1KDM4EALDH1A1L3MBTL1
SCHEMBL16471442 0.75 KDM4E (0.39) CYP1A2KDM4EALDH1A1CYP2C19
SCHEMBL1120595 0.75 TDP1 (0.39) TDP1
SCHEMBL2860872 0.75 TDP1 (0.39) TDP1KDM4EALDH1A1BACE1
SCHEMBL2864153 0.75 TAAR1 (0.47) TAAR1CYP2A6CYP1A2HRH1HRH4
SCHEMBL3628464 0.75 TAAR1 (0.52) TAAR1CYP2A6CYP1A2HRH1HRH4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718774-B2 Indole carboxamide derivatives as P2X7 receptor antagonist IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-01 US disclosed
US-20150322008-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST ACTELION PHARMACEUTICALS LTD (CH) 2015-11-12 US disclosed
EP-2931717-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2015-10-21 EP disclosed
WO-2014091415-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-06-19 WO disclosed
EP-2346825-A2 MODULATORS OF P2X3 RECEPTOR ACTIVITY Evotec AG (DE) 2011-07-27 EP disclosed
EP-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150322008-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST P2RX3, P2RX7, P2RX1 TAAR1 60/4885CYP2A6 1080/4885CYP1A2 566/4885

“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.