SCHEMBL4090328

SCHEMBL4090328

O=C(OCC1CCC1)OCC1CCN(CCCN2C(=O)CCc3cc(F)c(F)cc32)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 20/20 0.65
CHRM4 P08173 13/20 0.53
CHRM5 P08912 13/20 0.53
CHRM2 P08172 12/20 0.46
CHRM3 P20309 12/20 0.46
DRD2 P14416 8/20 0.46
DRD4 P21917 8/20 0.46
DRD3 P35462 8/20 0.46
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45

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
SCHEMBL4096295 0.87 CHRM1 (0.63) CHRM1CHRM4CHRM5CHRM2CHRM3
SCHEMBL4101702 0.86 CHRM1 (0.59) CHRM1CHRM4CHRM5CHRM2CHRM3
SCHEMBL13692841 0.83 CHRM1 (0.59) CHRM1CHRM4CHRM5CHRM2CHRM3
SCHEMBL4091753 0.82 CHRM1 (0.61) CHRM1CHRM4CHRM5CHRM2CHRM3
SCHEMBL4102024 0.80 CHRM1 (0.62) CHRM1CHRM4CHRM5CHRM2CHRM3
SCHEMBL4049862 0.79 CHRM1 (1.00) CHRM1CHRM4CHRM5CHRM2CHRM3
SCHEMBL4235093 0.79 CHRM1 (0.68) CHRM1CHRM4CHRM5CHRM2CHRM3
SCHEMBL4091278 0.79 CHRM1 (0.70) CHRM1CHRM4CHRM5CHRM2CHRM3
SCHEMBL4090333 0.78 CHRM1 (0.44) CHRM1CHRM4CHRM5
SCHEMBL4053276 0.76 CHRM1 (0.80) CHRM1CHRM4CHRM5CHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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 CHRM1 23/4885CHRM4 15/4885CHRM5 16/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CHRM1 5/4885CHRM4 4/4885CHRM5 2/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CHRM1 5/4885CHRM4 4/4885CHRM5 2/4885

“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.