Sugi Predict

Sugi Predict / Compounds / SCHEMBL4100824

SCHEMBL4100824

SCHEMBL4100824

Cc1ccc2c(c1)CCC(=O)N2CCCCl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49
▸ ATAD2 Q6PL18 1/20 0.47
▸ DRD2 P14416 6/20 0.44
▸ DRD4 P21917 6/20 0.44
▸ DRD3 P35462 6/20 0.44
▸ CHRM1 P11229 4/20 0.44
▸ CHRM2 P08172 3/20 0.44
▸ CHRM4 P08173 3/20 0.44
▸ CHRM5 P08912 3/20 0.44
▸ CHRM3 P20309 3/20 0.44
▸ SRD5A1 P18405 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 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
SCHEMBL1763836 0.96 GRIN1 (0.51) GRIN1GRIN2BATAD2DRD2DRD4
SCHEMBL4097569 0.89 GRIN1 (0.49) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL5544599 0.87 DRD2 (0.58) GRIN1GRIN2BATAD2DRD2DRD4
SCHEMBL5542111 0.86 DRD2 (0.53) GRIN1GRIN2BATAD2DRD2DRD4
SCHEMBL5537272 0.84 DRD2 (0.52) GRIN1GRIN2BATAD2DRD2DRD4
SCHEMBL5539818 0.84 ATAD2 (0.54) GRIN1GRIN2BATAD2DRD2DRD4
SCHEMBL14049720 0.83 ATAD2 (0.65) ATAD2DRD2DRD4DRD3CHRM1
SCHEMBL4101050 0.83 CHRM1 (0.53) GRIN1GRIN2BATAD2DRD2DRD4
SCHEMBL8005017 0.82 ATAD2 (0.49) GRIN1GRIN2BATAD2DRD2DRD4
SCHEMBL435242 0.80 ATAD2 (0.69) GRIN1GRIN2BATAD2DRD2DRD4

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-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
CN-100402032-C Tetrahydroquinoline analogs as muscarinic agonists ACADIA PHARM INC (US) 2008-07-16 — — CN 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-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
EP-1461318-A2 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2004-09-29 — — EP disclosed
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS INC. 2003-09-18 — — US disclosed
WO-2003057672-A2 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2003-07-17 — — WO 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 GRIN1 251/4885GRIN2B 330/4885ATAD2 2538/4885
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 GRIN1 41/4885GRIN2B 48/4885ATAD2 986/4885
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 GRIN1 251/4885GRIN2B 330/4885ATAD2 2538/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 GRIN1 251/4885GRIN2B 330/4885ATAD2 2538/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 GRIN1 251/4885GRIN2B 330/4885ATAD2 2538/4885
US-20060199810-A1 Muscarinic agonists CHRM3, CHRM5, CHRM2 GRIN1 336/4885GRIN2B 466/4885ATAD2 2989/4885

“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.