SCHEMBL4068499

SCHEMBL4068499

C/N=C(\SC)N1CCCCC1c1nnn(-c2cccc(C#N)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 7/20 0.45
CPT2 P23786 5/20 0.45

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
SCHEMBL4071172 1.00 CPT1A (0.45) CPT1ACPT2
SCHEMBL4068500 1.00 CPT1A (0.45) CPT1ACPT2
SCHEMBL4071168 1.00 CPT1A (0.45) CPT1ACPT2
SCHEMBL2893896 0.97 CPT1A (0.42) CPT1ACPT2
SCHEMBL2893898 0.97 CPT1A (0.42) CPT1ACPT2
SCHEMBL2893900 0.97 CPT1A (0.42) CPT1ACPT2
SCHEMBL4202781 0.86 CPT1A (0.47) CPT1ACPT2
SCHEMBL4202786 0.86 CPT1A (0.47) CPT1ACPT2
SCHEMBL8226219 0.86 CPT1A (0.45) CPT1ACPT2
SCHEMBL2899526 0.83 CPT1A (0.44) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027090-A2 MGLUR5 MODULATORS II AstraZeneca AB (SE) 2009-02-25 EP claimed
WO-2007130821-A2 MGLUR5 MODULATORS II ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 750/4885

“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.