SCHEMBL4336420

SCHEMBL4336420

COc1ccc(-c2nnc3n2CCCCN3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.43
NISCH Q9Y2I1 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL2895214 0.96 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2897122 0.79 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5488505 0.77 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1544024 0.75 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2896067 0.74 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2889754 0.72 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5488142 0.71 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2889941 0.69 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12913752 0.69 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4234196 0.68 PSEN1 (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576077-B2 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-08-18 US disclosed
US-20070185095-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
US-20060009443-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-12 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-20070185095-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM5 PSEN1 1636/4885PSEN2 1692/4885APH1B 3629/4885
US-20060009443-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM5 PSEN1 1274/4885PSEN2 1240/4885APH1B 3296/4885

“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.