SCHEMBL5482950

SCHEMBL5482950

CN(C)CCOc1ccc(-c2nnc(N3CCCCC3c3nnn(-c4cccc(Cl)c4)n3)n2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 5/20 0.40
CPT2 P23786 3/20 0.40
GRM5 P41594 1/20 0.40
SLC6A4 P31645 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL5479842 0.88 CPT1A (0.44) CPT1ACPT2GRM5
SCHEMBL5479156 0.87 GRM5 (0.40) CPT1ACPT2GRM5
SCHEMBL5485936 0.86 GRM5 (0.42) CPT1ACPT2GRM5
SCHEMBL5410285 0.85 GRM5 (0.40) CPT1ACPT2GRM5
SCHEMBL5410409 0.85 GRM5 (0.40) CPT1ACPT2GRM5
SCHEMBL5402135 0.85 GRM5 (0.40) CPT1ACPT2GRM5
SCHEMBL5482941 0.83 GRM5 (0.45) CPT1ACPT2GRM5
SCHEMBL5463045 0.83 GRM5 (0.45) CPT1ACPT2GRM5
SCHEMBL5463053 0.83 GRM5 (0.45) CPT1ACPT2GRM5
SCHEMBL4377245 0.81 GRM5 (0.45) CPT1ACPT2GRM5

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 CPT1A 2916/4885CPT2 3191/4885GRM5 5/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 CPT1A 2754/4885CPT2 3163/4885GRM5 4/4885

“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.