Sugi Predict

Sugi Predict / Compounds / SCHEMBL4091131

SCHEMBL4091131

SCHEMBL4091131

CCCCC1CCN(CC(C)CN2C(=O)CSc3ccccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 8/20 0.48
▸ CHRM5 P08912 6/20 0.48
▸ CHRM3 P20309 6/20 0.48
▸ CHRM2 P08172 5/20 0.48
▸ CHRM4 P08173 5/20 0.48
▸ DRD2 P14416 4/20 0.48
▸ DRD4 P21917 4/20 0.48
▸ DRD3 P35462 3/20 0.48
▸ ADRA1D P25100 2/20 0.48
▸ ADRA1A P35348 2/20 0.48
▸ ADRA1B P35368 2/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GFER P55789 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL4091127 1.00 CHRM1 (0.48) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL4095785 0.84 CHRM1 (0.67) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL4101813 0.84 NPSR1 (0.41) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL4097751 0.84 NPSR1 (0.41) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL4097745 0.84 NPSR1 (0.41) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL4097747 0.84 NPSR1 (0.41) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL4101811 0.84 NPSR1 (0.41) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL4097874 0.83 NPSR1 (0.44) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL4097872 0.83 NPSR1 (0.44) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL4089779 0.81 CHRM2 (0.72) CHRM1CHRM5CHRM3CHRM2CHRM4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7307075-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS INC. (US) 2007-12-11 — — 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
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 5/4885CHRM5 2/4885CHRM3 1/4885
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 23/4885CHRM5 16/4885CHRM3 17/4885
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 CHRM1 5/4885CHRM5 2/4885CHRM3 1/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CHRM1 5/4885CHRM5 2/4885CHRM3 1/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CHRM1 5/4885CHRM5 2/4885CHRM3 1/4885
US-20060199810-A1 Muscarinic agonists CHRM3, CHRM5, CHRM2 CHRM1 5/4885CHRM5 2/4885CHRM3 1/4885

“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.