SCHEMBL1306032

SCHEMBL1306032

NC12CCC(C(=O)OC3CCCCO3)(CC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.31

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
SCHEMBL13868184 0.92 MEN1 (0.30) MEN1KMT2A
SCHEMBL5568688 0.83 MEN1 (0.35) MEN1KMT2AEPHX2
SCHEMBL6348493 0.78 MEN1 (0.34) MEN1KMT2AEPHX2
SCHEMBL5563190 0.77 MEN1 (0.35) MEN1KMT2A
SCHEMBL5697624 0.77 EPHX2 (0.39) MEN1KMT2AEPHX2
SCHEMBL5567918 0.77 MEN1 (0.35) MEN1KMT2A
SCHEMBL5562876 0.77 MEN1 (0.35) MEN1KMT2AEPHX2
SCHEMBL6354331 0.77 MEN1 (0.33) MEN1KMT2A
SCHEMBL5568128 0.75 MAPK1 (0.39) MEN1KMT2AEPHX2
SCHEMBL5011348 0.74 MEN1 (0.32) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719757-B1 BICYCLO DERIVATIVE KYORIN SEIYAKU KK (JP) 2013-10-09 EP disclosed
EP-1712547-B1 BICYCLOESTER DERIVATIVE KYORIN SEIYAKU KK (JP) 2011-12-14 EP disclosed
US-8053465-B2 Bicycloester derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-08 US disclosed
US-7754757-B2 Bicycloester derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20100093825-A1 Bicycloester derivative FUKUDA YASUMICHI 2010-04-15 US disclosed
US-7560569-B2 (2S,4S)-1-[[(4-carbamoylbicyclo[2.2.2]oct-1-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile, for treating type II diabetes; increase glucagon-like peptide activity KYORIN PHARMACEUTICAL CO., LTD (JP) 2009-07-14 US disclosed
US-7514571-B2 Bicyclo derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-04-07 US disclosed
US-20080146818-A1 Dipeptidylpeptidase IV (DPP-IV) inhibitory activity; (2S,4S)-1-[[N-(4-ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile)); diabetes KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-06-19 US disclosed
US-20070265320-A1 Bicycloamide Derivative KYORIN PHARMACEUTICAL CO., LTD (JP) 2007-11-15 US disclosed
US-20070167501-A1 Bicyclo derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
EP-1719757-A1 BICYCLO DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1717225-A1 BICYCLIC AMIDE DERIVATIVES Kyorin Pharmaceutical Co., Ltd. (JP) 2006-11-02 EP disclosed
EP-1712547-A1 BICYCLOESTER DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2006-10-18 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 (4 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-20070265320-A1 Bicycloamide Derivative DPP4, DPP7, DPP9 MEN1 3700/4885KMT2A 1596/4885EPHX2 4555/4885
US-20100093825-A1 Bicycloester derivative DPP4, DPP7, DPP3 MEN1 4161/4885KMT2A 3406/4885EPHX2 3785/4885
US-20070167501-A1 Bicyclo derivative DPP4, DPP7, DPP9 MEN1 3623/4885KMT2A 1721/4885EPHX2 4784/4885
US-20080146818-A1 Dipeptidylpeptidase IV (DPP-IV) inhibitory activity; (2S,4S)-1-[[N-(4-ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile)); diabetes DPP4, DPP7, DPP3 MEN1 3917/4885KMT2A 3348/4885EPHX2 3990/4885

“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.