Sugi Predict

Sugi Predict / Compounds / SCHEMBL4083232

SCHEMBL4083232

SCHEMBL4083232

CCOC(=O)C=C1CC2CCC(C1)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.47
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ ABL1 P00519 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RIN1 Q13671 1/20 0.36
▸ OPRM1 P35372 5/20 0.35
▸ OPRD1 P41143 4/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ RECQL P46063 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL14464307 1.00 ESR2 (0.47) ESR2JAK2JAK1HPGDMAPK1
SCHEMBL8344811 0.81 ESR2 (0.50) ESR2JAK2JAK1HPGDMAPK1
SCHEMBL14570568 0.81 ESR2 (0.50) ESR2JAK2JAK1HPGDMAPK1
SCHEMBL14570632 0.81 ESR2 (0.50) ESR2JAK2JAK1HPGDMAPK1
SCHEMBL8345066 0.81 ESR2 (0.50) ESR2JAK2JAK1HPGDMAPK1
SCHEMBL5690516 0.79 ESR2 (0.48) ESR2JAK2JAK1HPGDMAPK1
SCHEMBL5084409 0.79 ESR2 (0.48) ESR2JAK2JAK1HPGDMAPK1
SCHEMBL5084406 0.79 ESR2 (0.48) ESR2JAK2JAK1HPGDMAPK1
SCHEMBL5690699 0.79 ESR2 (0.48) ESR2JAK2JAK1HPGDMAPK1
SCHEMBL8334688 0.79 ESR2 (0.48) ESR2JAK2JAK1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670209-B2 Muscarinic agonists ACADIA PHARMACEUTICALS INC. (US) 2017-06-06 — — US disclosed
US-9670209-B2 Muscarinic agonists ACADIA PHARMACEUTICALS INC. (US) 2017-06-06 — — US disclosed
US-9670209-B2 Muscarinic agonists ACADIA PHARMACEUTICALS INC. (US) 2017-06-06 — — US disclosed
US-9522906-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2016-12-20 — — US disclosed
US-20160039819-A1 MUSCARINIC AGONISTS ALLERGAN, INC. 2016-02-11 — — US disclosed
US-20160039819-A1 MUSCARINIC AGONISTS ALLERGAN, INC. 2016-02-11 — — US disclosed
US-20160039819-A1 MUSCARINIC AGONISTS ALLERGAN, INC. 2016-02-11 — — US disclosed
EP-2976079-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2016-01-27 — — EP disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 — — WO disclosed
WO-2014152144-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2014-09-25 — — WO disclosed
WO-2009117808-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-10-01 — — WO 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-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 (4 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 ESR2 607/4885JAK2 3821/4885JAK1 2225/4885
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR ESR2 229/4885JAK2 280/4885JAK1 1861/4885
US-20160039819-A1 MUSCARINIC AGONISTS CHRM3, CHRM2, CHRM1 ESR2 585/4885JAK2 4374/4885JAK1 3454/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 ESR2 543/4885JAK2 3384/4885JAK1 3789/4885

“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.