SCHEMBL2890850

SCHEMBL2890850

Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]1c1nnn(-c2cccc(C#N)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
KCNH2 Q12809 3/20 0.47
GRM5 P41594 3/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL2890857 1.00 DRD2 (0.47) DRD2DRD3KCNH2GRM5CHRNB2
SCHEMBL5629885 0.88 CHRNB2 (0.52) DRD2DRD3KCNH2GRM5CHRNB2
SCHEMBL5629899 0.88 CHRNB2 (0.52) DRD2DRD3KCNH2GRM5CHRNB2
SCHEMBL5628465 0.86 CHRNB2 (0.52) DRD2DRD3KCNH2GRM5CHRNB2
SCHEMBL5633655 0.85 GRM5 (0.41) DRD2DRD3GRM5CHRNB2CHRNA5
SCHEMBL4072117 0.85 GRM5 (0.41) DRD2DRD3GRM5CHRNB2CHRNA5
SCHEMBL4076468 0.82 GRM5 (0.40) DRD2DRD3GRM5CHRNB2CHRNA5
SCHEMBL4076476 0.82 GRM5 (0.40) DRD2DRD3GRM5CHRNB2CHRNA5
SCHEMBL5631797 0.82 USP30 (0.40) DRD2DRD3KCNH2GRM5CHRNB2
SCHEMBL5631775 0.82 USP30 (0.40) DRD2DRD3KCNH2GRM5CHRNB2

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
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US claimed
EP-2027120-A2 MGLUR5 MODULATORS I AstraZeneca AB (SE) 2009-02-25 EP claimed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259862-A1 MGluR5 modulators I 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-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 DRD2 293/4885DRD3 440/4885KCNH2 1397/4885

“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.