SCHEMBL3243125

SCHEMBL3243125

O=C1c2ccccc2C(=O)N1CCN1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
TP53 P04637 1/20 0.69
TERT O14746 1/20 0.66
KMT2A Q03164 2/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HTR1A P08908 3/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
AHR P35869 1/20 0.57
RECQL P46063 1/20 0.57
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ACHE P22303 1/20 0.56
LMNA P02545 1/20 0.54

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
SCHEMBL29097638 1.00 ALDH1A1 (0.69) ALDH1A1TP53TERTKMT2AGAA
Hydrochloric Acid SCHEMBL27677246 0.98 ALDH1A1 (0.67) ALDH1A1TP53TERTKMT2AGAA
SCHEMBL29163908 0.98 ALDH1A1 (0.66) ALDH1A1TP53TERTKMT2AGAA
SCHEMBL30690126 0.98 ALDH1A1 (0.66) ALDH1A1TP53TERTKMT2AGAA
Hydrochloric Acid SCHEMBL27677255 0.96 ALDH1A1 (0.64) ALDH1A1TP53TERTKMT2AGAA
SCHEMBL23164620 0.90 HTR1A (0.67) HTR1A
SCHEMBL12332512 0.90 HTR1A (0.67) HTR1A
SCHEMBL2362765 0.89 HTR1A (0.68) HTR1AACHE
SCHEMBL12124720 0.89 HTR1A (0.68) HTR1A
SCHEMBL3174057 0.89 HTR1A (0.68) HTR1A

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170100414-A1 SMALL MOLECULE EFFLUX PUMP INHIBITORS UNIVERSITY OF ROCHESTER (US) 2017-04-13 US disclosed
EP-2181996-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2010-05-05 EP disclosed
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US disclosed
US-7498326-B2 Compounds GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
US-7312212-B2 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2007-12-25 US disclosed
EP-1359908-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2007-08-22 EP disclosed
US-7205408-B2 Quinolines and nitrogenated derivative thereof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM, P.L.C. (GB) 2007-04-17 US disclosed
US-7186730-B2 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2007-03-06 US disclosed
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP disclosed
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
EP-1144404-A1 PIPERIDINYLQUINOLINES AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2001-10-17 EP disclosed
EP-1127057-A1 NAPHTHYRIDINE COMPOUNDS AND THIER AZAISOSTERIC ANALOGUES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2001-08-29 EP disclosed
EP-1121355-A1 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2001-08-08 EP disclosed
WO-2001007432-A2 AMINOPIPERIDINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2001-02-01 WO disclosed
WO-2001007433-A2 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-02-01 WO disclosed
EP-1051413-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2000-11-15 EP disclosed
WO-2000043383-A1 PIPERIDINYLQUINOLINES AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2000-07-27 WO disclosed
WO-2000021952-A1 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 WO disclosed
WO-2000021948-A1 NAPHTHRYDINE COMPOUNDS AND THEIR AZAISOSTERIC ANALOGUES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 WO disclosed
WO-1999037635-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 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 (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-20170100414-A1 SMALL MOLECULE EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCC1 ALDH1A1 1954/4885TP53 4125/4885TERT 3991/4885

“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.