SCHEMBL1781856

SCHEMBL1781856

CC1CN(Cc2ccccc2)CC1NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
DRD2 P14416 6/20 0.53
DRD4 P21917 6/20 0.53
DRD3 P35462 6/20 0.53
NPFFR1 Q9GZQ6 1/20 0.45
NPFFR2 Q9Y5X5 1/20 0.45
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
MAOB P27338 2/20 0.43
KDM1A O60341 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
BCHE P06276 2/20 0.43
KCNA3 P22001 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
JAK1 P23458 1/20 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
SCHEMBL7834998 1.00 KMT2A (0.55) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL7835003 1.00 KMT2A (0.55) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL3187519 1.00 KMT2A (0.55) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL19121559 1.00 KMT2A (0.55) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL3187533 1.00 KMT2A (0.55) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL6208015 0.93 KMT2A (0.53) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL6480037 0.93 KMT2A (0.53) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL9051886 0.91 DRD2 (0.49) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL9051882 0.91 DRD2 (0.49) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL1779389 0.91 DRD2 (0.50) KMT2AL3MBTL1DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED 2011-05-19 US disclosed
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED 2011-05-19 US disclosed
EP-2231646-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
US-RE41149-E1 Stereoisomerically pure 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluoro-1-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid or a pharmaceutically acceptable salt thereof; antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-23 US disclosed
US-RE41149-E1 Stereoisomerically pure 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluoro-1-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid or a pharmaceutically acceptable salt thereof; antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-23 US disclosed
WO-2009076387-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
WO-2009076387-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
US-20060264433-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2006-11-23 US disclosed
EP-0787726-B1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR AGENT DAINIPPON PHARMACEUTICAL CO (JP) 2001-11-28 EP disclosed
EP-0788498-B1 PHENYLOXAZOLIDINONE ANTIMICROBIALS UPJOHN CO (US) 2001-08-16 EP disclosed
US-5817669-A A COMPOUND CONTAINING 1-(2-THIAZOLYL)-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-10-06 US disclosed
US-5767127-A BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-06-16 US disclosed
EP-0787726-A1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR AGENT DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-08-06 EP disclosed
US-5587386-A BACTERICIDES, MICROBIOCIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
WO-1996013502-A1 PHENYLOXAZOLIDINONE ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1996-05-09 WO disclosed
EP-0443498-A1 Isoindoline derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-08-28 EP disclosed
EP-0208210-B1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-10-24 EP disclosed
US-4855292-A ANTIMICROBIAL AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-08-08 US disclosed
US-4753953-A Pyridonecarboxylic acid derivatives and antibacterial pharmaceutical compositions thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 1988-06-28 US disclosed
EP-0208210-A1 Pyridonecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-01-14 EP 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-20060264433-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 KMT2A 3336/4885L3MBTL1 3609/4885DRD2 3745/4885
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R KMT2A 2598/4885L3MBTL1 2980/4885DRD2 464/4885

“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.