SCHEMBL326547

SCHEMBL326547

Cc1nc(-c2cccc(C(=O)NC3CCC(CCN4CCN(c5nccc6c5OCC6)CC4)CC3)c2)no1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.81
DRD2 P14416 19/20 0.81
HTR2A P28223 16/20 0.81
KCNH2 Q12809 1/20 0.62

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
SCHEMBL326548 1.00 DRD3 (0.81) DRD3DRD2HTR2AKCNH2
SCHEMBL1698549 0.90 DRD2 (1.00) DRD3DRD2HTR2A
SCHEMBL1698555 0.90 DRD2 (1.00) DRD3DRD2HTR2A
SCHEMBL1393914 0.84 DRD2 (0.77) DRD3DRD2HTR2A
SCHEMBL322539 0.84 DRD2 (0.77) DRD3DRD2HTR2A
SCHEMBL322611 0.83 DRD2 (0.78) DRD3DRD2HTR2A
SCHEMBL322782 0.83 DRD2 (0.78) DRD3DRD2HTR2A
SCHEMBL322294 0.83 DRD2 (0.79) DRD3DRD2HTR2A
SCHEMBL321529 0.83 DRD2 (0.79) DRD3DRD2HTR2A
SCHEMBL326510 0.82 DRD2 (0.78) DRD3DRD2HTR2A

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-2590984-B1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-01-28 EP claimed
US-8470828-B2 Anellated pyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US claimed
US-20120010201-A1 NOVEL ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-01-12 US claimed
EP-2590984-B1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-01-28 EP disclosed
US-8470828-B2 Anellated pyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
EP-2590984-A1 ANELLATED PYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-15 EP disclosed
WO-2012004206-A1 ANELLATED PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO disclosed
US-20120010201-A1 NOVEL ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-01-12 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-20120010201-A1 NOVEL ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A DRD3 53/4885DRD2 57/4885HTR2A 4/4885

“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.