SCHEMBL5488998

SCHEMBL5488998

C/N=C\SCN1CCN(C(=O)OC(C)(C)C)CC1c1nc(-c2cccc(Cl)c2)no1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.46
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL5489003 1.00 GRM5 (0.46) GRM5HCRTR1HCRTR2KCNH2
SCHEMBL5803660 0.84 GRM5 (0.41) GRM5HCRTR1HCRTR2
SCHEMBL5489007 0.81 GRM5 (0.49) GRM5HCRTR1HCRTR2
SCHEMBL5483546 0.78 GRM5 (0.50) GRM5HCRTR1HCRTR2
SCHEMBL5485886 0.76 GRM5 (0.52) GRM5
SCHEMBL5333014 0.75 GRM5 (0.71) GRM5HCRTR1HCRTR2
SCHEMBL5333005 0.75 GRM5 (0.71) GRM5HCRTR1HCRTR2
SCHEMBL5628484 0.74 GRM5 (0.72) GRM5HCRTR1HCRTR2
SCHEMBL5437317 0.74 HDAC6 (0.45) GRM5HCRTR1HCRTR2
SCHEMBL5485934 0.73 GRM5 (0.55) GRM5HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1716143-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-02-02 US disclosed
WO-2005080386-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 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 (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-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 GRM5 5/4885HCRTR1 109/4885HCRTR2 140/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 GRM5 4/4885HCRTR1 113/4885HCRTR2 143/4885

“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.