SCHEMBL321966

SCHEMBL321966

COC1CCC(CC(=O)NC2CCC(CCN3CCN(c4nccc5ccsc45)CC3)CC2)C1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.79
HTR2A P28223 20/20 0.79
DRD3 P35462 20/20 0.79

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
SCHEMBL1393742 1.00 DRD2 (0.79) DRD2HTR2ADRD3
SCHEMBL1393743 1.00 DRD2 (0.79) DRD2HTR2ADRD3
SCHEMBL1394136 0.95 DRD2 (0.78) DRD2HTR2ADRD3
SCHEMBL321530 0.95 DRD2 (0.78) DRD2HTR2ADRD3
SCHEMBL15385232 0.88 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL14875125 0.88 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698908 0.88 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698909 0.88 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698510 0.88 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL322201 0.86 DRD2 (0.76) DRD2HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470828-B2 Anellated pyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US claimed
EP-2590984-A1 ANELLATED PYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-15 EP claimed
WO-2012004206-A1 ANELLATED PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO 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 DRD2 57/4885HTR2A 4/4885DRD3 53/4885

“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.