SCHEMBL4277320

SCHEMBL4277320

COc1ccc2nccc([C@@H](O)CN3CCC(N)(CO)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.53
KCNH2 Q12809 4/20 0.53
CYP2D6 P10635 6/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
CYP3A4 P08684 3/20 0.44
ADRA2A P08913 3/20 0.44
SLC6A4 P31645 3/20 0.44
OPRM1 P35372 3/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CHRM2 P08172 1/20 0.44
SLC22A1 O15245 2/20 0.42
ABCB11 O95342 2/20 0.42
ABCB1 P08183 2/20 0.42
SCN1A P35498 2/20 0.42

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
SCHEMBL27577193 1.00 SLC2A1 (0.53) SLC2A1KCNH2CYP2D6ALDH1A1HSD17B10
SCHEMBL4272989 0.86 SLC2A1 (0.56) SLC2A1KCNH2
SCHEMBL4273002 0.86 SLC2A1 (0.56) SLC2A1KCNH2
SCHEMBL4272996 0.86 SLC2A1 (0.56) SLC2A1KCNH2
SCHEMBL13356412 0.84 SLC2A1 (0.59) SLC2A1KCNH2CYP2D6ALDH1A1HSD17B10
SCHEMBL13356470 0.84 SLC2A1 (0.59) SLC2A1KCNH2CYP2D6ALDH1A1HSD17B10
SCHEMBL5253301 0.84 KCNH2 (0.61) SLC2A1KCNH2CYP2D6ALDH1A1HSD17B10
SCHEMBL5253304 0.84 KCNH2 (0.61) SLC2A1KCNH2CYP2D6ALDH1A1HSD17B10
SCHEMBL4273949 0.84 KDM4E (0.59) SLC2A1KCNH2CYP2D6ALDH1A1HSD17B10
SCHEMBL5754730 0.82 SLC2A1 (0.56) SLC2A1KCNH2CYP2D6ALDH1A1HSD17B10

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 13 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
EP-1719770-A2 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
EP-1320529-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-05-24 EP 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-20040053928-A1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-18 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
CN-1452619-A Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM PLC (GB) 2003-10-29 CN disclosed
EP-1320529-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-25 EP disclosed
EP-1305308-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-05-02 EP disclosed
WO-2002024684-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-28 WO disclosed
WO-2002008224-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 2002-01-31 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-20040053928-A1 Quinoline derivatives as antibacterials AAAS, QDPR, QARS1 SLC2A1 3990/4885KCNH2 1839/4885CYP2D6 703/4885
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity AZI2, AMPD2, AMPD1 SLC2A1 3639/4885KCNH2 1010/4885CYP2D6 167/4885
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity AZI2, NPEPPS, AMPD2 SLC2A1 3675/4885KCNH2 785/4885CYP2D6 244/4885

“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.