Sugi Predict

Sugi Predict / Compounds / SCHEMBL4100446

SCHEMBL4100446

SCHEMBL4100446

COc1ccc2c(c1)N(CC(C)CI)C(=O)CO2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CBX7 O95931 1/20 0.45
▸ CDYL2 Q8N8U2 1/20 0.45
▸ CDYL Q9Y232 1/20 0.45
▸ CDY1; CDY1B Q9Y6F8 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ KCNH2 Q12809 2/20 0.42
▸ HTT P42858 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PIK3CG P48736 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ SMPD1 P17405 1/20 0.40

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
SCHEMBL4100445 1.00 L3MBTL1 (0.48) L3MBTL1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL4098128 0.88 ALOX15 (0.49) L3MBTL1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL4098310 0.88 L3MBTL1 (0.51) L3MBTL1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL4098126 0.88 ALOX15 (0.49) L3MBTL1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL4098307 0.88 L3MBTL1 (0.51) L3MBTL1CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL4091150 0.84 TSHR (0.60) HTTTSHRHSD17B10POLB
SCHEMBL4091147 0.84 TSHR (0.60) HTTTSHRHSD17B10POLB
SCHEMBL4098312 0.83 NPY5R (0.46) ALDH1A1HTTTSHRMAPTPOLB
SCHEMBL4098313 0.83 NPY5R (0.46) ALDH1A1HTTTSHRMAPTPOLB
SCHEMBL4102472 0.82 L3MBTL1 (0.43) L3MBTL1CBX7CDYL2CDYLCDY1; CDY1B

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 18 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
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 L3MBTL1 4036/4885CBX7 2121/4885CDYL2 3223/4885
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 L3MBTL1 3279/4885CBX7 1914/4885CDYL2 3221/4885
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 L3MBTL1 4036/4885CBX7 2121/4885CDYL2 3223/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 L3MBTL1 4036/4885CBX7 2121/4885CDYL2 3223/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 L3MBTL1 4036/4885CBX7 2121/4885CDYL2 3223/4885
US-20060199810-A1 Muscarinic agonists CHRM3, CHRM5, CHRM2 L3MBTL1 3762/4885CBX7 2421/4885CDYL2 3235/4885

“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.