SCHEMBL4078277

SCHEMBL4078277

COc1cc(-c2nnc(N3CCCCC3c3nnn(-c4cccc(C#N)c4)n3)n2C)ccn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
USP30 Q70CQ3 1/20 0.38
CPT1A P50416 3/20 0.36
CPT2 P23786 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL4078261 1.00 GRM5 (0.39) GRM5USP30CPT1ACPT2CHRNB2
SCHEMBL5631797 0.98 USP30 (0.40) GRM5USP30CPT1ACPT2CHRNB2
SCHEMBL5631775 0.98 USP30 (0.40) GRM5USP30CPT1ACPT2CHRNB2
SCHEMBL4076468 0.91 GRM5 (0.40) GRM5CPT1ACPT2CHRNB2CHRNA5
SCHEMBL4076476 0.91 GRM5 (0.40) GRM5CPT1ACPT2CHRNB2CHRNA5
SCHEMBL5628529 0.89 GRM5 (0.43) GRM5USP30CPT1ACPT2
SCHEMBL8220849 0.89 CPT1A (0.36) GRM5USP30CPT1ACPT2
SCHEMBL4072117 0.88 GRM5 (0.41) GRM5USP30CHRNB2CHRNA5CHRNA4
SCHEMBL5633655 0.88 GRM5 (0.41) GRM5USP30CHRNB2CHRNA5CHRNA4
SCHEMBL5628465 0.85 CHRNB2 (0.52) GRM5CHRNB2CHRNA5CHRNA4

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 8 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
EP-2672971-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE Pharmalundensis AB (SE) 2013-12-18 EP disclosed
WO-2012108831-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE REDECO CHEM AB (SE) 2012-08-16 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

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 GRM5 1/4885USP30 3230/4885CPT1A 1642/4885

“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.