SCHEMBL4087723

SCHEMBL4087723

CCOC(=O)C=C1CC2CCC(C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.49
CHRM2 P08172 1/20 0.49
CHRM3 P20309 1/20 0.49
ESR2 Q92731 1/20 0.40
HSD11B1 P28845 1/20 0.39
PREP P48147 4/20 0.39
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.34
GPR119 Q8TDV5 2/20 0.34

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
SCHEMBL13931014 1.00 CHRM1 (0.49) CHRM1CHRM2CHRM3ESR2HSD11B1
SCHEMBL2925345 0.95 CHRM1 (0.43) CHRM1CHRM2CHRM3ESR2HSD11B1
SCHEMBL16237261 0.88 CHRM1 (0.40) CHRM1CHRM2CHRM3ESR2HSD11B1
SCHEMBL30327944 0.85 ESR2 (0.41) CHRM1CHRM2CHRM3ESR2PREP
SCHEMBL2922130 0.85 CHRM2 (0.45) CHRM1CHRM2CHRM3HSD11B1PREP
SCHEMBL24208627 0.85 CHRM2 (0.53) CHRM1CHRM2CHRM3HSD11B1PREP
SCHEMBL30777200 0.85 CHRM2 (0.53) CHRM1CHRM2CHRM3HSD11B1PREP
SCHEMBL23265112 0.83 CHRM1 (0.43) CHRM1CHRM2CHRM3ESR2HSD11B1
SCHEMBL25712554 0.83 CHRM1 (0.43) CHRM1CHRM2CHRM3ESR2HSD11B1
SCHEMBL17317915 0.83 ESR2 (0.44) CHRM1ESR2MEN1ALDH1A1KMT2A

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2025-01-30 US disclosed
US-20240424111-A1 Degrader Compounds and Uses Thereof CALICO LIFE SCIENCES LLC (US) 2024-12-26 US disclosed
EP-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 EP disclosed
EP-4359409-A1 DEGRADER COMPOUNDS AND USES THEREOF Calico Life Sciences LLC (US) 2024-05-01 EP disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
WO-2022271727-A1 DEGRADER COMPOUNDS AND USES THEREOF CALICO LIFE SCIENCES LLC (US) 2022-12-29 WO disclosed
US-10144732-B2 ATX modulating agents BIOGEN MA INC. (US) 2018-12-04 US disclosed
EP-2840083-B1 NITROGENATED BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-09-13 EP disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
WO-2009117808-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-10-01 WO disclosed
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2009-09-24 US disclosed
US-7550459-B2 Neurodegenerative diseases, psychological disorders; e.g. 4-[3-(3a -Cyclopropylmethoxy-8-azabicyclo[3.2.1]oct-8-yl)-2-methylpropyl]-4H-benzo[1.4]oxazin-3-one ACADIA PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
EP-1828176-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2007-09-05 EP disclosed
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO disclosed
WO-2006068904-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2006-06-29 WO disclosed
US-20050209226-A1 Neurodegenerative diseases, psychological disorders; e.g. 4-[3-(3a -Cyclopropylmethoxy-8-azabicyclo[3.2.1]oct-8-yl)-2-methylpropyl]-4H-benzo[1.4]oxazin-3-one ACADIA PHARMACEUTICALS INC. 2005-09-22 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 (7 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-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 CHRM1 4184/4885CHRM2 3404/4885CHRM3 3597/4885
US-20050209226-A1 Neurodegenerative diseases, psychological disorders; e.g. 4-[3-(3a -Cyclopropylmethoxy-8-azabicyclo[3.2.1]oct-8-yl)-2-methylpropyl]-4H-benzo[1.4]oxazin-3-one CHRNA4, CHRNA2, CHRNA5 CHRM1 23/4885CHRM2 28/4885CHRM3 17/4885
US-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 CHRM1 549/4885CHRM2 403/4885CHRM3 302/4885
US-20240424111-A1 Degrader Compounds and Uses Thereof PTPN1, PTPN2, PTPN5 CHRM1 4793/4885CHRM2 4760/4885CHRM3 4831/4885
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR CHRM1 1153/4885CHRM2 1113/4885CHRM3 1015/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CHRM1 5/4885CHRM2 3/4885CHRM3 1/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 CHRM1 549/4885CHRM2 402/4885CHRM3 303/4885

“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.