SCHEMBL5482431

SCHEMBL5482431

O=C(O)N1CCOCC1c1nnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
CYP3A4 P08684 3/20 0.42
GRM5 P41594 1/20 0.41
CPT1A P50416 1/20 0.40
AKR1C3 P42330 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
SCHEMBL27649014 0.85 POLB (0.41) GRM5CPT1A
SCHEMBL5478186 0.85 HCRTR1 (0.39) HCRTR1HCRTR2CYP3A4GRM5CPT1A
SCHEMBL5478774 0.83 GRM5 (0.38) HCRTR1HCRTR2CYP3A4GRM5
SCHEMBL5478779 0.83 GRM5 (0.38) HCRTR1HCRTR2CYP3A4GRM5
SCHEMBL5482416 0.83 CPT1A (0.58) CPT1A
SCHEMBL5784886 0.78 POLB (0.37) GRM5
SCHEMBL5489081 0.73 GRM5 (0.38) CYP3A4GRM5
SCHEMBL8238657 0.72 GRM5 (0.52) GRM5CPT1A
SCHEMBL5304397 0.72 CPT1A (0.53) GRM5CPT1A
SCHEMBL5475092 0.72 GRM5 (0.42) GRM5

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 HCRTR1 109/4885HCRTR2 140/4885CYP3A4 1885/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 HCRTR1 113/4885HCRTR2 143/4885CYP3A4 1849/4885

“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.