SCHEMBL4492779

SCHEMBL4492779

O=C(NCC1CC1)c1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HDAC6 Q9UBN7 3/20 0.56
MLYCD O95822 1/20 0.56
CA2 P00918 1/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
MMP13 P45452 1/20 0.52
MPO P05164 1/20 0.52
CYP3A4 P08684 1/20 0.52
KDM5A P29375 1/20 0.52

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
SCHEMBL8389571 0.91 HDAC6 (0.68) MEN1KMT2AHDAC6MLYCDCA2
SCHEMBL5365652 0.89 SMYD3 (0.57) MAPK14MEN1KMT2AHDAC6MLYCD
SCHEMBL13096664 0.87 MEN1 (0.76) MAPK14MEN1KMT2AHDAC6MLYCD
SCHEMBL8283874 0.87 HDAC3 (0.55) MEN1KMT2AHDAC6HDAC3HDAC4
SCHEMBL6536256 0.85 KDM4E (0.55) MEN1KMT2AHDAC6MLYCDCA2
SCHEMBL29926296 0.84 HDAC6 (0.59) MAPK14KMT2AHDAC6MLYCDCA2
SCHEMBL3262619 0.84 MAPK14 (0.56) MAPK14MEN1KMT2AHDAC6MLYCD
SCHEMBL5630219 0.84 HDAC3 (0.62) MAPK14MEN1KMT2AHDAC6MLYCD
SCHEMBL12156536 0.84 CA2 (0.57) MAPK14MEN1KMT2AHDAC6MLYCD
SCHEMBL178383 0.84 MMP13 (0.71) MAPK14HDAC6MLYCDCA2HDAC3

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
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
CN-101230033-B New azabicycloalkane derivatives, preparing method and medicament combination containing the same SERVIER LAB 2011-03-09 CN disclosed
CN-100577160-C Novel azabicyclo derivatives, preparation method thereof and pharmaceutical compositions containing same SERVIER LAB 2010-01-06 CN 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
CN-101230033-A New azabicycloalkane derivatives, preparing method and medicament combination containing the same SERVIER LAB (FR) 2008-07-30 CN disclosed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 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
CN-1921848-A Novel azabicyclo derivatives, preparation method thereof and pharmaceutical compositions containing same SERVIER LAB (FR) 2007-02-28 CN disclosed
EP-1720544-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2006-11-15 EP disclosed
WO-2005089747-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2005-09-29 WO 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 (1 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-20070197625-A1 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them. HRH2, HNMT, HRH1 MAPK14 4091/4885MEN1 998/4885KMT2A 705/4885

“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.