SCHEMBL1304055

SCHEMBL1304055

O=C(c1ccc(O)cc1)N1Cc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 5/20 0.63
NAMPT P43490 5/20 0.63
TRAP1 Q12931 4/20 0.63
HSP90AA1 P07900 7/20 0.60
HSP90AB1 P08238 5/20 0.60
NOTUM Q6P988 1/20 0.52
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51

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
SCHEMBL4167985 0.86 NAMPT (0.64) HSP90B1NAMPTTRAP1HSP90AA1HSP90AB1
SCHEMBL1065004 0.85 NAMPT (0.63) HSP90B1NAMPTTRAP1HSP90AA1HSP90AB1
SCHEMBL31047689 0.83 PKM (0.62) HSP90B1NAMPTTRAP1HSP90AA1HSP90AB1
SCHEMBL4155125 0.80 NAMPT (0.59) HSP90B1NAMPTTRAP1HSP90AA1HSP90AB1
SCHEMBL4505014 0.80 ABHD6 (0.48) HSP90B1NAMPTTRAP1HSP90AA1HSP90AB1
SCHEMBL21768167 0.80 MAOB (0.56) HSP90B1NAMPTTRAP1HSP90AA1HSP90AB1
SCHEMBL30089453 0.80 MAOB (0.56) HSP90B1NAMPTTRAP1HSP90AA1HSP90AB1
SCHEMBL17618301 0.78 TRAP1 (0.65) HSP90B1NAMPTTRAP1HSP90AA1HSP90AB1
SCHEMBL3709164 0.78 NAMPT (1.00) NAMPT
SCHEMBL30846004 0.78 TRAP1 (1.00) HSP90B1TRAP1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-8329700-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-12-11 US disclosed
US-8247418-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-08-21 US disclosed
US-8053438-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2011-11-08 US disclosed
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 US disclosed
US-7576120-B2 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-08-18 US disclosed
EP-1720544-B1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2008-03-19 EP disclosed
US-20070197625-A1 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them. LES LABORATORATIES SERVIER (FR) 2007-08-23 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 (5 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-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A HSP90B1 2955/4885NAMPT 800/4885TRAP1 992/4885
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A HSP90B1 2955/4885NAMPT 800/4885TRAP1 992/4885
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A HSP90B1 2955/4885NAMPT 800/4885TRAP1 992/4885
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A HSP90B1 2712/4885NAMPT 95/4885TRAP1 1424/4885
US-20070197625-A1 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them. HRH2, HNMT, HRH1 HSP90B1 4385/4885NAMPT 1760/4885TRAP1 4264/4885

“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.