SCHEMBL2317954

SCHEMBL2317954

[CH]1COc2cccnc2O1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HPGD P15428 1/20 0.32

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
SCHEMBL1595435 0.84 CA12 (0.38) LTA4HCA12CA1CA2CA9
SCHEMBL11076 0.72
SCHEMBL103232 0.72 ITGB2 (0.50) LTA4HCA12CA1CA2CA9
SCHEMBL29945033 0.72 ITGB2 (0.50) LTA4HCA12CA1CA2CA9
SCHEMBL29664379 0.72
SCHEMBL29568932 0.70 CA12 (0.38) LTA4HCA12CA1CA2CA9
SCHEMBL218235 0.70 CA12 (0.38) LTA4HCA12CA1CA2CA9
SCHEMBL3457558 0.70
SCHEMBL20898034 0.69 CHRNB4 (0.41) LTA4HCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL11121 0.69 ABCG2 (0.50) CA2

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
EP-2352734-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-08-10 EP disclosed
WO-2010043714-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-22 WO disclosed
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US disclosed
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP disclosed
US-7109213-B2 Aminopiperidine compounds, process for their preparation, and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 2006-09-19 US disclosed
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. 2006-01-19 US disclosed
US-6962917-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2005-11-08 US disclosed
US-20050085494-A1 Aminopiperidine compounds, process for their preparation, and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 2005-04-21 US disclosed
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 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 (3 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-20050085494-A1 Aminopiperidine compounds, process for their preparation, and pharmaceutical compositions containing them NPEPPS, AASDHPPT, DNPEP LTA4H 1326/4885CA12 4874/4885CA1 4866/4885
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity AZI2, AMPD2, AMPD1 LTA4H 2089/4885CA12 4644/4885CA1 4148/4885
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity AZI2, NPEPPS, AMPD2 LTA4H 2291/4885CA12 4815/4885CA1 4722/4885

“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.