SCHEMBL2768622

SCHEMBL2768622

O=C1c2ccccc2C(=O)N1C[C@H]1CN(Cc2ccccc2)CCO1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.60
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 1/20 0.56
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
ACHE P22303 1/20 0.50

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
SCHEMBL1502135 1.00 DRD4 (0.60) DRD4CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2768626 1.00 DRD4 (0.60) DRD4CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL8327760 0.91 DRD4 (0.60) DRD4CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL6230220 0.90 DRD4 (0.61) DRD4CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL4024060 0.88 DRD4 (0.60) DRD4CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL4504836 0.88 DRD4 (0.60) DRD4CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL4321704 0.80 DRD4 (0.68) DRD4CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL4690091 0.79 DRD4 (0.71) DRD4CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL11680001 0.79 DRD4 (0.59) DRD4CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL25223531 0.78 PPIB (0.58) CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS BALLELL-PAGES LLUIS 2010-07-22 US disclosed
US-7732460-B2 Heterocyclic compounds, their preparation and their use as antibacterials GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
EP-1963324-B1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed
EP-2167196-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS Glaxo Group Limited (GB) 2010-03-31 EP disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials GLAXO GROUP LIMITED (GB) 2009-02-05 US disclosed
WO-2009000745-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed
EP-2005995-A1 Heterocyclic compounds for the treatment of tuberculosis GLAXO GROUP LIMITED (GB) 2008-12-24 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
EP-1963324-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-09-03 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed
US-20070185153-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
WO-2007071936-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-06-28 WO 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 (4 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-20070185153-A1 COMPOUNDS NRDC, NISCH, MRPL21 DRD4 1321/4885CYP1A2 1281/4885CYP2C9 176/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ DRD4 1600/4885CYP1A2 1854/4885CYP2C9 1721/4885
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS SDHA, SDHB, NNT DRD4 2221/4885CYP1A2 217/4885CYP2C9 144/4885
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials MRPL21, NACA, NISCH DRD4 1733/4885CYP1A2 243/4885CYP2C9 54/4885

“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.