SCHEMBL3961986

SCHEMBL3961986

CNC(=S)N1CCCC[C@@H]1c1nnn(-c2cccc(C#N)c2)n1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 7/20 0.48
CPT2 P23786 5/20 0.48

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
SCHEMBL3963782 1.00 CPT1A (0.48) CPT1ACPT2
SCHEMBL2894590 0.97 CPT1A (0.45) CPT1ACPT2
SCHEMBL8228386 0.85 CPT1A (0.48) CPT1ACPT2
SCHEMBL8220751 0.85 CPT1A (0.48) CPT1ACPT2
SCHEMBL5483440 0.85 CPT1A (0.50) CPT1ACPT2
SCHEMBL8233479 0.82 CPT1A (0.45) CPT1ACPT2
SCHEMBL2895611 0.82 CPT1A (0.47) CPT1ACPT2
SCHEMBL4071168 0.81 CPT1A (0.45) CPT1ACPT2
SCHEMBL3966278 0.81 CPT1A (0.52) CPT1ACPT2
SCHEMBL4068499 0.81 CPT1A (0.45) 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.