SCHEMBL4072117

SCHEMBL4072117

Cc1cc(-c2nnc(N3CCC[C@@H]3c3nnn(-c4cccc(C#N)c4)n3)n2C)ccn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.41
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38
USP30 Q70CQ3 2/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 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
SCHEMBL5633655 1.00 GRM5 (0.41) GRM5CHRNB2CHRNA5CHRNA4USP30
SCHEMBL4076468 0.98 GRM5 (0.40) GRM5CHRNB2CHRNA5CHRNA4DRD2
SCHEMBL4076476 0.98 GRM5 (0.40) GRM5CHRNB2CHRNA5CHRNA4DRD2
SCHEMBL5631775 0.91 USP30 (0.40) GRM5CHRNB2CHRNA5CHRNA4USP30
SCHEMBL5631797 0.91 USP30 (0.40) GRM5CHRNB2CHRNA5CHRNA4USP30
SCHEMBL4078277 0.88 GRM5 (0.39) GRM5CHRNB2CHRNA5CHRNA4USP30
SCHEMBL4078261 0.88 GRM5 (0.39) GRM5CHRNB2CHRNA5CHRNA4USP30
SCHEMBL5630197 0.88 GRM5 (0.46) GRM5
SCHEMBL8230979 0.88 GRM5 (0.36) GRM5
SCHEMBL5630184 0.88 GRM5 (0.46) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027110-A2 MGLUR5 MODULATORS III Astra Zeneca AB (SE) 2009-02-25 EP claimed
WO-2007130822-A2 MGLUR5 MODULATORS III ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259926-A1 mGluR5 modulators III ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20070259926-A1 mGluR5 modulators III ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259926-A1 mGluR5 modulators III ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259926-A1 mGluR5 modulators III 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-20070259926-A1 mGluR5 modulators III GRM5, GRM3, GRIK5 GRM5 1/4885CHRNB2 257/4885CHRNA5 31/4885

“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.