SCHEMBL2769124

SCHEMBL2769124

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 16/20 0.61
DRD2 P14416 4/20 0.57
DRD3 P35462 4/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALDH1A1 P00352 2/20 0.55
EPHX2 P34913 1/20 0.54
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CCR3 P51677 1/20 0.52

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
SCHEMBL5429645 1.00 DRD4 (0.61) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL2770194 1.00 DRD4 (0.61) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL1502120 0.90 DRD4 (0.59) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL4496185 0.87 CCR3 (0.68) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL9686830 0.87 DRD4 (0.55) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL3922376 0.87 CCR3 (0.68) DRD4DRD2DRD3CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL21641334 0.86 DRD4 (0.54) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL13538758 0.85 DRD4 (0.57) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL5364553 0.85 DRD4 (0.65) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL3607018 0.84 DRD4 (0.52) DRD4DRD2DRD3CYP1A2CYP3A4

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 10 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-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
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US disclosed
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials GLAXO GROUP LIMITED (GB) 2009-02-05 US 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
US-20070254872-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
US-20070185153-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 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 (5 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 1321/4885DRD2 2150/4885DRD3 1778/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ DRD4 1600/4885DRD2 2154/4885DRD3 1829/4885
US-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 DRD4 398/4885DRD2 536/4885DRD3 497/4885
US-20070254872-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 DRD4 2194/4885DRD2 2960/4885DRD3 2998/4885
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials MRPL21, NACA, NISCH DRD4 1733/4885DRD2 2584/4885DRD3 1968/4885

“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.