SCHEMBL322602

SCHEMBL322602

CC(C)(C)OC(=O)NC1CCC(CCN2CCN(c3nccc4ccsc34)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.59
DRD3 P35462 19/20 0.59
HTR2A P28223 17/20 0.59

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
SCHEMBL1394160 1.00 DRD2 (0.59) DRD2DRD3HTR2A
SCHEMBL321510 0.88 DRD2 (0.75) DRD2DRD3HTR2A
SCHEMBL1395332 0.88 DRD2 (0.75) DRD2DRD3HTR2A
SCHEMBL1698369 0.87 DRD2 (0.79) DRD2DRD3HTR2A
SCHEMBL15385193 0.87 DRD2 (0.79) DRD2DRD3HTR2A
SCHEMBL322215 0.87 DRD2 (0.76) DRD2DRD3HTR2A
SCHEMBL322201 0.87 DRD2 (0.76) DRD2DRD3HTR2A
SCHEMBL29223786 0.85 DRD2 (0.68) DRD2DRD3HTR2A
SCHEMBL21743550 0.85 DRD2 (0.68) DRD2DRD3HTR2A
SCHEMBL30671827 0.85 DRD2 (0.68) DRD2DRD3HTR2A

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-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 DRD2 57/4885DRD3 53/4885HTR2A 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.