SCHEMBL2891587

SCHEMBL2891587

c1cncc(-c2nnc3n2CCCCN3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2A6 P11509 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
NISCH Q9Y2I1 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL2895003 0.95 PSEN1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2A6PSEN1
SCHEMBL5488505 0.81 PSEN1 (0.49) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL4234196 0.78 PSEN1 (0.43) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL1544024 0.76 PSEN1 (0.46) ALDH1A1CYP1A2PSEN1PSEN2APH1B
SCHEMBL2857892 0.75 HPGD (0.67) ALDH1A1HPGDKDM4EHTTMEN1
SCHEMBL2889754 0.73 PSEN1 (0.41) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL4370758 0.72 CHRNB2 (0.42) ALDH1A1CYP2A6PSEN1PSEN2APH1B
SCHEMBL15983679 0.72 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP3A4CYP2A6GAA
SCHEMBL15983678 0.71 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP3A4CYP2A6GAA
SCHEMBL928670 0.71 MKNK1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2A6GAA

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 10 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
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US disclosed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 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 ALDH1A1 2803/4885CYP1A2 1742/4885CYP3A4 879/4885
US-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 ALDH1A1 4603/4885CYP1A2 4520/4885CYP3A4 3585/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 ALDH1A1 2915/4885CYP1A2 1908/4885CYP3A4 960/4885

“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.