SCHEMBL1305982

SCHEMBL1305982

COC(=O)C12CCC(C(=O)OC(C)(C)C)(CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
NPSR1 Q6W5P4 1/20 0.36
CHRM1 P11229 1/20 0.36
HSD11B1 P28845 2/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
LMNA P02545 1/20 0.32
CTSL P07711 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA14 Q9ULX7 1/20 0.30
APLNR P35414 1/20 0.30

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
SCHEMBL21679086 0.87 DGAT1 (0.40) DGAT1NPSR1HSD11B1LMNAMEN1
SCHEMBL2445606 0.83 NPSR1 (0.46) NPSR1CHRM1HSD11B1CYP4F2CYP4A11
SCHEMBL1306106 0.83 CYP4F2 (0.35) DGAT1CYP4F2CYP4A11CA12CA2
SCHEMBL1306326 0.83 CYP4F2 (0.35) DGAT1CYP4F2CYP4A11
SCHEMBL1933747 0.81 MEN1 (0.39) DGAT1CHRM1HSD11B1CTSLMEN1
SCHEMBL16635199 0.80 CYP4F2 (0.31) DGAT1CYP4F2CYP4A11
SCHEMBL22394872 0.79 GAA (0.32) DGAT1
SCHEMBL16987661 0.78 DGAT1 (0.40) DGAT1NPSR1CYP4F2CYP4A11LMNA
SCHEMBL8182460 0.77 HCRTR2 (0.39) CHRM1CTSLMEN1KMT2ACA12
SCHEMBL5080852 0.77 DGAT1 (0.36) DGAT1CHRM1CYP4F2CYP4A11MEN1

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 9 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-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 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
WO-2008063671-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO 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 (3 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-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 DGAT1 3612/4885NPSR1 1145/4885CHRM1 4440/4885
US-20100093825-A1 Bicycloester derivative DPP4, DPP7, DPP3 DGAT1 3208/4885NPSR1 1955/4885CHRM1 2752/4885
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 DGAT1 2186/4885NPSR1 1560/4885CHRM1 3214/4885

“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.