SCHEMBL1306106

SCHEMBL1306106

CC(C)(C)OC(=O)C12CCC(N)(CC1)CC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
DGAT1 O75907 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
SCHEMBL24189590 0.84 CA12 (0.33) CA12CA1CA2CA9CA14
SCHEMBL1305982 0.83 DGAT1 (0.40) CYP4F2CYP4A11CA12CA2CA14
SCHEMBL1306326 0.83 CYP4F2 (0.35) CYP4F2CYP4A11DGAT1
SCHEMBL7184587 0.80 CYP4F2 (0.35) CYP4F2CYP4A11
Methylamine SCHEMBL6804391 0.79 CYP4F2 (0.34) CYP4F2CYP4A11
SCHEMBL26699654 0.78 CYP4F2 (0.38) CYP4F2CYP4A11
SCHEMBL22394850 0.77 MAPK1 (0.31) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL2312894 0.77 MAPK1 (0.34) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL5080852 0.77 DGAT1 (0.36) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL18089204 0.76 MEN1 (0.32) CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20100093825-A1 Bicycloester derivative DPP4, DPP7, DPP3 CYP4F2 44/4885CYP4A11 147/4885CA12 1285/4885
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 CYP4F2 349/4885CYP4A11 694/4885CA12 507/4885

“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.