SCHEMBL1698728

SCHEMBL1698728

CC(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 1.00
HTR2A P28223 20/20 1.00
DRD3 P35462 20/20 1.00

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
SCHEMBL1698443 1.00 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698402 0.92 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698401 0.92 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698834 0.91 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL15385194 0.91 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL12073688 0.91 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698673 0.91 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698377 0.91 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698519 0.90 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL1698522 0.90 DRD2 (1.00) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582705-B1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2014-08-06 EP claimed
US-8586579-B2 Anellated pyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US claimed
US-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-12-22 US claimed
EP-2582705-B1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
EP-2582705-B1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8586579-B2 Anellated pyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2582705-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
WO-2011161009-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-29 WO disclosed
WO-2011161009-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-29 WO disclosed
US-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
US-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-12-22 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-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A DRD2 78/4885HTR2A 4/4885DRD3 84/4885

“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.