SCHEMBL4273977

SCHEMBL4273977

COc1ccc2nccc(NC(=O)N3CCC(=O)CC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.42
PI4KB Q9UBF8 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL4269605 0.85 KCNH2 (0.45) KCNH2PI4KB
SCHEMBL5775818 0.83 MAP4K4 (0.45) KCNH2PI4KBKDM4EALDH1A1MAPK1
SCHEMBL4271556 0.78 ATM (0.45) KCNH2
SCHEMBL5927867 0.77 KCNH2 (0.46) KCNH2
SCHEMBL5927248 0.75 KCNH2 (0.39) KCNH2PI4KBKDM4EALDH1A1HCAR2
SCHEMBL5927691 0.75 KCNH2 (0.39) KCNH2PI4KBTRPV1KDM4EALDH1A1
Oxalic Acid SCHEMBL5726214 0.75 SLC2A1 (0.46) KCNH2KDM4EALDH1A1
SCHEMBL5444742 0.74 KCNH2 (0.44) KCNH2PI4KB
SCHEMBL591768 0.74 KDM4E (0.51) KCNH2KDM4EALDH1A1TSHRMAPK1
SCHEMBL4512584 0.74 KCNH2 (0.45) KCNH2MAPT

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-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-20060079546-A1 Aminopiperidine derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. 2006-04-13 US disclosed
US-7001913-B1 Aminopiperidine derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-02-21 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
EP-1214314-B1 AMINOPIPERIDINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2005-09-07 EP disclosed
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 US disclosed
EP-1214314-A2 AMINOPIPERIDINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2002-06-19 EP disclosed
WO-2001007432-A2 AMINOPIPERIDINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2001-02-01 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 (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-20060079546-A1 Aminopiperidine derivatives as antibacterials NPEPPS, AMPD2, DNPEP KCNH2 1451/4885PI4KB 4012/4885TRPV1 1853/4885
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity AZI2, AMPD2, AMPD1 KCNH2 1010/4885PI4KB 3318/4885TRPV1 2558/4885
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity AZI2, NPEPPS, AMPD2 KCNH2 785/4885PI4KB 3594/4885TRPV1 3144/4885

“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.