SCHEMBL1093178

SCHEMBL1093178

CNCC1CC(C)(C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.42
HRH1 P35367 4/20 0.42
HTR2C P28335 6/20 0.38
HTR2B P41595 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 4/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 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
SCHEMBL15287232 0.82 KDM4C (0.40) HTR2AHRH1HTR2CHTR2BKDM4C
SCHEMBL11524465 0.80 HTR2A (0.39) HTR2AHTR2CHTR2BKDM4CSLC6A2
SCHEMBL30886993 0.80 HTR2A (0.39) HTR2AHTR2CHTR2BKDM4CSLC6A2
SCHEMBL30839578 0.80 HTR2A (0.39) HTR2AHTR2CHTR2BKDM4CSLC6A2
SCHEMBL7185696 0.79 HTR2A (0.38) HTR2AHTR2CKDM4COPRM1GAA
SCHEMBL27981694 0.77 KDM1A (0.39) HTR2AKDM4COPRM1
SCHEMBL19210033 0.77 CYSLTR2 (0.41) HTR2AHTR2CKDM4CADRA2AADRA2B
SCHEMBL10339564 0.76 HTR2A (0.39) HTR2AHTR2CKDM4CADRA2A
SCHEMBL31326461 0.73 HSD11B1 (0.48) KDM4CTP53KDM4EL3MBTL1GAA
SCHEMBL10339554 0.73 HSD11B1 (0.48) KDM4CTP53KDM4EL3MBTL1GAA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153652-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-04-10 US disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
US-20110098277-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-04-28 US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 US disclosed
US-7741339-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2010-06-22 US disclosed
US-20090221699-A1 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. DEBIOPHARM INTERNATIONAL SA (CH) 2009-09-03 US disclosed
EP-1560584-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2009-01-14 EP disclosed
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP disclosed
US-7250424-B2 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-07-31 US disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 US disclosed
US-20060116394-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2006-06-01 US disclosed
US-7049310-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-05-23 US disclosed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 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 (6 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-20090221699-A1 E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. ACR, NANP, MDN1 HTR2A 2117/4885HRH1 3101/4885HTR2C 1764/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 HTR2A 4782/4885HRH1 1227/4885HTR2C 4837/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF HTR2A 4841/4885HRH1 4158/4885HTR2C 4853/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 HTR2A 4792/4885HRH1 1229/4885HTR2C 4840/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF HTR2A 4841/4885HRH1 4158/4885HTR2C 4853/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 HTR2A 4782/4885HRH1 1227/4885HTR2C 4837/4885

“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.