SCHEMBL4100765

SCHEMBL4100765

CCCOC1CCN(CC(C)CN2C(=O)COc3ccc(C)cc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 6/20 0.47
HTT P42858 2/20 0.47
PLK1 P53350 1/20 0.44
CYP3A4 P08684 5/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2D6 P10635 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL4097973 1.00 MEN1 (0.47) MEN1KMT2ATSHRHTTPLK1
SCHEMBL4091143 0.90 CHRM1 (0.45) MEN1KMT2AHTTCHRM5CHRM1
SCHEMBL4091145 0.90 CHRM1 (0.45) MEN1KMT2AHTTCHRM5CHRM1
SCHEMBL4101092 0.89 KCNH2 (0.45) L3MBTL1ALDH1A1CHRM1
SCHEMBL4101094 0.89 KCNH2 (0.45) L3MBTL1ALDH1A1CHRM1
SCHEMBL4096001 0.87 CHRM1 (0.47) MEN1KMT2ATSHRL3MBTL1CHRM2
SCHEMBL4095999 0.87 CHRM1 (0.47) MEN1KMT2ATSHRL3MBTL1CHRM2
SCHEMBL4090860 0.85 CHRM1 (0.53) ALDH1A1CHRM5CHRM1CHRM3GAA
SCHEMBL4090863 0.85 CHRM1 (0.53) ALDH1A1CHRM5CHRM1CHRM3GAA
SCHEMBL4095328 0.83 CHRM5 (0.53) MEN1KMT2ATSHRHTTPLK1

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-7307075-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS INC. (US) 2007-12-11 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-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
EP-1828176-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2007-09-05 EP 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 MEN1 1245/4885KMT2A 1702/4885TSHR 128/4885
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 MEN1 2656/4885KMT2A 470/4885TSHR 260/4885
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 MEN1 1245/4885KMT2A 1702/4885TSHR 128/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 MEN1 1245/4885KMT2A 1702/4885TSHR 128/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 MEN1 1245/4885KMT2A 1702/4885TSHR 128/4885
US-20060199810-A1 Muscarinic agonists CHRM3, CHRM5, CHRM2 MEN1 933/4885KMT2A 1951/4885TSHR 94/4885

“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.