SCHEMBL4268442

SCHEMBL4268442

COc1ccc2nccc(NC(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
CFTR P13569 2/20 0.46
NAMPT P43490 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
KCNH2 Q12809 1/20 0.43
SLC2A1 P11166 1/20 0.43
DYRK1A Q13627 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MCHR1 Q99705 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PRKDC P78527 1/20 0.42
MTNR1B P49286 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
NCF1 P14598 1/20 0.41

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
SCHEMBL13857011 0.86 KCNH2 (0.47) KCNH2SLC2A1ALDH1A1MCHR1MTNR1B
SCHEMBL5266247 0.85 KCNH2 (0.58) KCNH2ALDH1A1PIK3CAMTORPRKDC
SCHEMBL4270077 0.85 NTRK1 (0.44) ATMCFTRNAMPTHDAC3HDAC1
Ammonia Solution, Strong SCHEMBL6643042 0.84 KCNH2 (0.57) KCNH2ALDH1A1PIK3CAMTORPRKDC
SCHEMBL5777153 0.83 MTNR1A (0.46) ATMCFTRKCNH2SLC2A1MTNR1B
SCHEMBL4282967 0.83 KDM4E (0.48) ATMKCNH2ALDH1A1MCHR1MTNR1B
SCHEMBL4271556 0.82 ATM (0.45) ATMCFTRNAMPTHDAC3HDAC1
SCHEMBL29933647 0.80 PIK3CD (0.55) DYRK1AALDH1A1MCHR1PIK3CA
SCHEMBL28834193 0.80 PIK3CD (0.55) DYRK1AALDH1A1MCHR1PIK3CA
SCHEMBL28834195 0.80 PIK3CD (0.55) DYRK1AALDH1A1MCHR1PIK3CA

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 5 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-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-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 (2 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-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity AZI2, AMPD2, AMPD1 ATM 2468/4885CFTR 1615/4885NAMPT 1109/4885
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity AZI2, NPEPPS, AMPD2 ATM 3009/4885CFTR 764/4885NAMPT 1154/4885

“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.