SCHEMBL2897435

SCHEMBL2897435

COc1cc(-c2nnc3n2CCCCN3Cc2nnn(-c3cccc(C#N)c3)n2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
GRM5 P41594 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA4 P43681 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
USP30 Q70CQ3 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL2896306 0.98 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2889873 0.87 CHRNB2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2889558 0.86 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2890137 0.85 CHRNB2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5485751 0.84 ALDH1A1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2898565 0.83 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2897423 0.80 GRM5 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2895584 0.80 GRM5 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2889052 0.80 GRM5 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2893245 0.79 ALDH1A1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US claimed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US claimed
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-05 US claimed
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
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-05 US 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-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 PSEN1 775/4885PSEN2 876/4885APH1B 3491/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 PSEN1 786/4885PSEN2 902/4885APH1B 3540/4885

“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.