Sugi Predict

Sugi Predict / Compounds / SCHEMBL4098307

SCHEMBL4098307

SCHEMBL4098307

COc1ccc2c(c1)N(C[C@@H](C)CCl)C(=O)CO2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALOX15 P16050 1/20 0.47
▸ 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
▸ KCNH2 Q12809 2/20 0.42
▸ HTT P42858 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PIK3CG P48736 1/20 0.41
▸ KDM4E B2RXH2 1/20 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
▸ KMO O15229 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
SCHEMBL4098310 1.00 L3MBTL1 (0.51) L3MBTL1ALOX15CBX7CDYL2CDYL
SCHEMBL4100446 0.88 L3MBTL1 (0.48) L3MBTL1ALOX15CBX7CDYL2CDYL
SCHEMBL4100445 0.88 L3MBTL1 (0.48) L3MBTL1ALOX15CBX7CDYL2CDYL
SCHEMBL4098126 0.88 ALOX15 (0.49) L3MBTL1ALOX15CBX7CDYL2CDYL
SCHEMBL4098128 0.88 ALOX15 (0.49) L3MBTL1ALOX15CBX7CDYL2CDYL
SCHEMBL4091115 0.84 TSHR (0.60) HTTTSHRHSD17B10POLB
SCHEMBL4091113 0.84 TSHR (0.60) HTTTSHRHSD17B10POLB
SCHEMBL4095788 0.83 NPY5R (0.46) ALDH1A1HTTUSP2TSHRKDM4E
SCHEMBL4095790 0.83 NPY5R (0.46) ALDH1A1HTTUSP2TSHRKDM4E
SCHEMBL4102472 0.82 L3MBTL1 (0.43) L3MBTL1ALOX15CBX7CDYL2CDYL

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 4036/4885ALOX15 1540/4885CBX7 2121/4885
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 3279/4885ALOX15 1239/4885CBX7 1914/4885
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 L3MBTL1 4036/4885ALOX15 1540/4885CBX7 2121/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 L3MBTL1 4036/4885ALOX15 1540/4885CBX7 2121/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 L3MBTL1 4036/4885ALOX15 1540/4885CBX7 2121/4885
US-20060199810-A1 Muscarinic agonists CHRM3, CHRM5, CHRM2 L3MBTL1 3762/4885ALOX15 1443/4885CBX7 2421/4885

“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.