SCHEMBL5303447

SCHEMBL5303447

CC(C)(C)OC(=O)N1CCCCC1c1nnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 5/20 0.52
CPT2 P23786 3/20 0.51
POLB P06746 1/20 0.47

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
SCHEMBL5303450 1.00 CPT1A (0.52) CPT1ACPT2POLB
SCHEMBL2894182 0.97 POLB (0.49) CPT1ACPT2POLB
SCHEMBL2894183 0.97 POLB (0.49) CPT1ACPT2POLB
SCHEMBL5800519 0.92 CPT1A (0.46) CPT1ACPT2POLB
SCHEMBL5314047 0.90 CPT1A (0.52) CPT1ACPT2
SCHEMBL3963483 0.89 CPT1A (0.52) CPT1ACPT2
SCHEMBL4059432 0.89 CPT1A (0.52) CPT1ACPT2
SCHEMBL3966278 0.87 CPT1A (0.52) CPT1ACPT2
SCHEMBL3962625 0.87 CPT1A (0.52) CPT1ACPT2
SCHEMBL2890738 0.86 CPT1A (0.48) CPT1ACPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007130821-A2 MGLUR5 MODULATORS II ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
WO-2007039782-A1 TETRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2007-04-12 WO disclosed
CN-1918154-A Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (SE) 2007-02-21 CN 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 (3 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-20070259916-A1 mGluR5 modulators II GRM5, GRM2, GRIK5 CPT1A 1642/4885CPT2 750/4885POLB 4752/4885
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 CPT1A 2916/4885CPT2 3191/4885POLB 3418/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 CPT1A 2754/4885CPT2 3163/4885POLB 3489/4885

“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.