SCHEMBL2895166

SCHEMBL2895166

C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CCN1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 1/20 0.60
LMNA P02545 2/20 0.56
ALDH1A1 P00352 4/20 0.54
MAPT P10636 5/20 0.53
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51
HSD11B1 P28845 1/20 0.50
GRM5 P41594 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2897300 1.00 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL2898307 0.81 CYP1A2 (0.75) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL781659 0.79 CYP1A2 (0.87) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL8259130 0.79 CYP1A2 (0.71) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL29445475 0.79 CYP1A2 (0.71) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL6195201 0.79 MAPT (0.60) LMNAALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL6196541 0.79 MAPT (0.60) LMNAALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL6197167 0.79 MAPT (0.60) LMNAALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL2743003 0.78 TRPV1 (0.46) HSD11B1
SCHEMBL4425614 0.78 TRPV1 (0.46) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716125-B1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2013-06-19 EP disclosed
CN-1918137-B Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2012-08-01 CN disclosed
CN-101845023-A Tetrazole compound and as the application of metabotropic glutamate receptor antagonists NPS PHARMA INC 2010-09-29 CN disclosed
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US disclosed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US disclosed
US-20070049578-A1 Cinnamamide compounds as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-03-01 US disclosed
US-20070049578-A1 Cinnamamide compounds as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-03-01 US disclosed
US-20070049578-A1 Cinnamamide compounds as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-03-01 US disclosed
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-05 US disclosed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 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-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 CYP1A2 1742/4885CYP2C9 1303/4885CYP2C19 1339/4885
US-20070049578-A1 Cinnamamide compounds as metabotropic glutamate receptor antagonists GRM5, GRM1, GRM3 CYP1A2 2321/4885CYP2C9 2399/4885CYP2C19 2753/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 CYP1A2 1908/4885CYP2C9 1458/4885CYP2C19 1492/4885

“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.