SCHEMBL4089865

SCHEMBL4089865

C1CC1COC1CC2CCC(C1)N2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.38
SLC6A2 P23975 9/20 0.38
SLC6A3 Q01959 9/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
CHRNA7 P36544 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 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
SCHEMBL16122368 1.00 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3DRD2DRD3
Hydrochloric Acid SCHEMBL3522545 0.98 DRD2 (0.37) SLC6A4SLC6A2SLC6A3DRD2DRD3
Hydrochloric Acid SCHEMBL3522546 0.98 DRD2 (0.37) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL17504258 0.91 CTSL (0.39) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL16122380 0.91 CTSL (0.39) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL17504259 0.91 CTSL (0.39) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL12012196 0.90 CTSL (0.46) SLC6A4SLC6A2SLC6A3DRD2DRD3
Hydrochloric Acid SCHEMBL3522017 0.88 CTSL (0.44) SLC6A4SLC6A2SLC6A3DRD2DRD3
Hydrochloric Acid SCHEMBL3522018 0.88 CTSL (0.44) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL24603001 0.74 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3DRD2DRD3

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 20 patents. 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-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
EP-2976079-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2016-01-27 EP disclosed
WO-2014152144-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2014-09-25 WO 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-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 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
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-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 SLC6A4 385/4885SLC6A2 341/4885SLC6A3 344/4885
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR SLC6A4 1446/4885SLC6A2 1034/4885SLC6A3 1022/4885
US-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 SLC6A4 416/4885SLC6A2 333/4885SLC6A3 499/4885
US-20160039819-A1 MUSCARINIC AGONISTS CHRM3, CHRM2, CHRM1 SLC6A4 1587/4885SLC6A2 680/4885SLC6A3 1175/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 SLC6A4 1415/4885SLC6A2 750/4885SLC6A3 1190/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 SLC6A4 1415/4885SLC6A2 750/4885SLC6A3 1190/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 SLC6A4 416/4885SLC6A2 333/4885SLC6A3 499/4885

“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.