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Sugi Predict / Compounds / SCHEMBL4101995

SCHEMBL4101995

SCHEMBL4101995

CCCOC1CCN(CCCN2C(=O)CCc3cc(C)ccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 16/20 0.53
▸ DRD2 P14416 12/20 0.53
▸ DRD4 P21917 11/20 0.53
▸ DRD3 P35462 11/20 0.53
▸ CHRM2 P08172 10/20 0.53
▸ CHRM4 P08173 10/20 0.53
▸ CHRM5 P08912 10/20 0.53
▸ CHRM3 P20309 10/20 0.53
▸ ADRB2 P07550 2/20 0.53
▸ ADRB1 P08588 2/20 0.53
▸ ADRA1D P25100 2/20 0.53
▸ ADRA1A P35348 2/20 0.53
▸ ADRA1B P35368 2/20 0.53
▸ KCNH2 Q12809 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
SCHEMBL4091266 0.89 CHRM1 (0.65) CHRM1DRD2DRD4DRD3CHRM2
SCHEMBL4095889 0.86 CHRM1 (0.71) CHRM1DRD2DRD4DRD3CHRM2
SCHEMBL4096734 0.84 CHRM1 (0.63) CHRM1DRD2DRD4DRD3CHRM2
SCHEMBL4101918 0.84 CHRM1 (0.55) CHRM1DRD2DRD4DRD3CHRM2
SCHEMBL4103777 0.83 CHRM1 (0.75) CHRM1DRD2DRD4DRD3CHRM2
SCHEMBL4100694 0.80 CHRM1 (0.49) CHRM1DRD2DRD4DRD3CHRM2
SCHEMBL6434431 0.80 CHRM1 (0.51) CHRM1DRD2DRD4DRD3CHRM2
SCHEMBL6437575 0.79 CHRM1 (0.48) CHRM1DRD2DRD4DRD3CHRM2
SCHEMBL5544599 0.78 DRD2 (0.58) CHRM1DRD2DRD4DRD3CHRM2
SCHEMBL5542111 0.77 DRD2 (0.53) CHRM1DRD2DRD4DRD3CHRM2

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-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2009-09-24 — — US claimed
US-7576100-B2 Muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2009-08-18 — — US claimed
US-20060199810-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2006-09-07 — — US claimed
US-20060199813-A1 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS INC. 2006-09-07 — — US claimed
EP-1461318-B9 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-12-28 — — EP claimed
EP-1461318-B1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-09-14 — — EP claimed
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS INC. 2003-09-18 — — US claimed
US-9522906-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2016-12-20 — — US 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-7576078-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2009-08-18 — — US disclosed
US-7576100-B2 Muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2009-08-18 — — US disclosed
US-20060199810-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2006-09-07 — — US disclosed
US-20060199813-A1 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS INC. 2006-09-07 — — US disclosed
WO-2006068904-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2006-06-29 — — WO disclosed
EP-1461318-B9 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-12-28 — — EP 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
EP-1461318-B1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-09-14 — — EP disclosed
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS INC. 2003-09-18 — — 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 (6 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-20060199813-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 CHRM1 5/4885DRD2 599/4885DRD4 1302/4885
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 23/4885DRD2 166/4885DRD4 266/4885
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 CHRM1 5/4885DRD2 599/4885DRD4 1302/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CHRM1 5/4885DRD2 599/4885DRD4 1302/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CHRM1 5/4885DRD2 599/4885DRD4 1302/4885
US-20060199810-A1 Muscarinic agonists CHRM3, CHRM5, CHRM2 CHRM1 5/4885DRD2 623/4885DRD4 1280/4885

“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.