SCHEMBL4097772

SCHEMBL4097772

CC(C)(C)OC(=O)N1CCC(OCC2CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.60
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.48
EPHX1 P07099 1/20 0.48
NR1H2 P55055 1/20 0.48
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL2149117 0.94 GPR119 (0.58) GPR119HPGDRECQLEPHX1KDM4E
SCHEMBL20303147 0.94 GPR119 (0.58) GPR119HPGDRECQLEPHX1KDM4E
SCHEMBL470837 0.94 GPR119 (0.67) GPR119HPGDRECQLEPHX1KDM4E
SCHEMBL26635122 0.91 GPR119 (0.58) GPR119HPGDRECQLEPHX1KDM4E
SCHEMBL1243249 0.91 GPR119 (0.52) GPR119HPGDRECQLEPHX1NR1H2
SCHEMBL1243247 0.91 GPR119 (0.52) GPR119HPGDRECQLEPHX1NR1H2
SCHEMBL4715715 0.90 GPR119 (0.55) GPR119HPGDRECQLEPHX1NR1H2
SCHEMBL15412881 0.88 GPR119 (0.61) GPR119HPGDRECQLEPHX1KDM4E
SCHEMBL29768079 0.88 GPR119 (0.53) GPR119HPGDRECQLEPHX1NR1H2
SCHEMBL25974405 0.88 GPR119 (0.53) GPR119HPGDRECQLEPHX1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558310-B1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-01-17 EP disclosed
EP-3558307-B1 6,6-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-05-03 EP disclosed
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-03 US disclosed
CN-111848591-B HDAC inhibitors and methods of making and using the same 成都先导药物开发股份有限公司 2022-03-18 CN disclosed
US-10836775-B2 6,6-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2020-11-17 US disclosed
CN-111848591-A HDAC inhibitors and methods of making and using the same 成都先导药物开发股份有限公司 2020-10-30 CN disclosed
WO-2020216298-A1 HDAC INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 成都先导药物开发股份有限公司 2020-10-29 WO disclosed
EP-3394061-B1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (US) 2020-03-11 EP disclosed
EP-3558310-A1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2019-10-30 EP disclosed
EP-3558307-A1 6,6-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2019-10-30 EP disclosed
WO-2017112719-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
US-9522906-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2016-12-20 US disclosed
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-8680115-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2014-03-25 US 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
EP-1828176-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2007-09-05 EP 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 (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-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 GPR119 213/4885HPGD 1463/4885RECQL 910/4885
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM2, CHRM5 GPR119 219/4885HPGD 3278/4885RECQL 2440/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 GPR119 138/4885HPGD 597/4885RECQL 453/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 GPR119 138/4885HPGD 597/4885RECQL 453/4885
US-10836775-B2 6,6-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM5, CHRM2 GPR119 234/4885HPGD 2856/4885RECQL 2040/4885

“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.