SCHEMBL4270077

SCHEMBL4270077

COc1cc(F)c2nccc(NC(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.44
CFTR P13569 2/20 0.44
NAMPT P43490 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
ATM Q13315 1/20 0.42
PARP1 P09874 3/20 0.41
ALDH1A1 P00352 1/20 0.39
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PRKDC P78527 1/20 0.38
KDM4D Q6B0I6 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5263146 0.86 ALDH1A1 (0.43) ALDH1A1PIK3CAMTORPRKDC
SCHEMBL4268442 0.85 ATM (0.48) CFTRNAMPTHDAC3HDAC1HDAC2
SCHEMBL5635423 0.77 ALDH1A1 (0.35) ALDH1A1PIK3CAMTORPRKDC
SCHEMBL13857005 0.77 SLC2A1 (0.55) NOS3NOS1NOS2
SCHEMBL4271556 0.76 ATM (0.45) CFTRNAMPTHDAC3HDAC1HDAC2
SCHEMBL7470114 0.74 NAMPT (0.63) NAMPTATMALDH1A1KMT2A
SCHEMBL21397263 0.71 ACACB (0.48) ALDH1A1CKS1BSKP1SKP2PIK3CA
SCHEMBL4277304 0.71 GSK3A (0.42) HDAC1KMT2A
SCHEMBL5266247 0.70 KCNH2 (0.58) ALDH1A1PIK3CAMTORPRKDC
SCHEMBL5777153 0.70 MTNR1A (0.46) CFTRATMKDM4D

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 NTRK1 4509/4885CFTR 1615/4885NAMPT 1109/4885
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity AZI2, NPEPPS, AMPD2 NTRK1 4276/4885CFTR 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.