SCHEMBL616990

SCHEMBL616990

O=C(O)N1CC2CCC(O)C2C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.37
HSD11B2 P80365 1/20 0.37
VNN1 O95497 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 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
SCHEMBL14806639 1.00 HSD11B1 (0.37) HSD11B1HSD11B2VNN1CHRNB2CHRNB4
SCHEMBL15640955 1.00 HSD11B1 (0.37) HSD11B1HSD11B2VNN1CHRNB2CHRNB4
SCHEMBL4322135 1.00 HSD11B1 (0.37) HSD11B1HSD11B2VNN1CHRNB2CHRNB4
SCHEMBL21460094 0.88 VNN1 (0.39) HSD11B1HSD11B2VNN1
SCHEMBL6127513 0.85 HSD11B1 (0.42) HSD11B1HSD11B2CHRNB2CHRNB4CHRNA3
SCHEMBL6127508 0.85 HSD11B1 (0.42) HSD11B1HSD11B2CHRNB2CHRNB4CHRNA3
SCHEMBL27170220 0.81 HSD11B1 (0.32) HSD11B1HSD11B2
SCHEMBL30832718 0.79 HSD11B1 (0.44) HSD11B1HSD11B2CHRNB2CHRNB4CHRNA3
SCHEMBL22615698 0.78 HSD11B1 (0.35) HSD11B1HSD11B2CHRNB2CHRNB4CHRNA3
SCHEMBL22581181 0.78 HSD11B1 (0.36) HSD11B1HSD11B2CHRNA7

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-3703680-B1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2024-05-15 EP disclosed
US-11352344-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2022-06-07 US disclosed
US-20200339547-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2020-10-29 US disclosed
EP-3703680-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2020-09-09 EP disclosed
US-20140113005-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-24 US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
EP-2370424-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2011-10-05 EP disclosed
WO-2010054398-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-14 WO disclosed
US-20090124600-A1 N-Alkyl-Azacycloalkyl NMDA/NR2B Antagonists MERCK SHARP & DOHME CORP. 2009-05-14 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-20200339547-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 HSD11B1 3251/4885HSD11B2 3077/4885VNN1 1031/4885
US-11352344-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM4 HSD11B1 2230/4885HSD11B2 2097/4885VNN1 1843/4885
US-20090124600-A1 N-Alkyl-Azacycloalkyl NMDA/NR2B Antagonists GRIN2B, GRIN2A, GRIN1 HSD11B1 1249/4885HSD11B2 1759/4885VNN1 3747/4885
US-20140113005-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 HSD11B1 4365/4885HSD11B2 4400/4885VNN1 3905/4885
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 HSD11B1 4365/4885HSD11B2 4400/4885VNN1 3905/4885

“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.