Sugi Predict

Sugi Predict / Compounds / SCHEMBL372169

SCHEMBL372169

SCHEMBL372169

CC(C)(C)OC(=O)N1C2CCC1CC(CCOS(C)(=O)=O)C2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.55
▸ CHRM1 P11229 1/20 0.55
▸ CHRM3 P20309 1/20 0.55
▸ PREP P48147 3/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ GPR119 Q8TDV5 13/20 0.38
▸ NR1H2 P55055 1/20 0.36
▸ SCN9A Q15858 1/20 0.35

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
SCHEMBL15263195 1.00 CHRM2 (0.55) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL907262 0.86 CHRM2 (0.57) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL6838110 0.86 CHRM2 (0.57) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL16122652 0.83 CHRM2 (0.60) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL4097950 0.83 CHRM2 (0.60) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL2744763 0.82 KDM4E (0.33) CHRM2CHRM1CHRM3
SCHEMBL2744760 0.82 KDM4E (0.33) CHRM2CHRM1CHRM3
SCHEMBL16499643 0.81 HSD11B1 (0.47) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL16122498 0.81 CHRM1 (0.57) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL4091126 0.81 CHRM1 (0.57) CHRM2CHRM1CHRM3PREPHSD11B1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3329918-B1 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2022-05-25 — — EP disclosed
US-9670209-B2 Muscarinic agonists ACADIA PHARMACEUTICALS INC. (US) 2017-06-06 — — US disclosed
US-9522906-B2 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2016-12-20 — — US disclosed
US-9359332-B2 Processes for the preparation of substituted quinazolines SYMPHONY EVOLUTION, INC. (US) 2016-06-07 — — US disclosed
US-20160129032-A1 Receptor-Type Kinase Modulators and Methods of Use SYMPHONY EVOLUTION, INC. (US) 2016-05-12 — — US disclosed
US-20160039819-A1 MUSCARINIC AGONISTS ALLERGAN, INC. 2016-02-11 — — US disclosed
EP-2976079-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2016-01-27 — — EP disclosed
US-20150376133-A1 C-Met Modulators and Methods of Use EXELIXIS, INC. 2015-12-31 — — US disclosed
US-9163006-B2 — — 2015-10-20 — — US disclosed
WO-2014152144-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2014-09-25 — — WO disclosed
US-7977345-B2 c-MET modulators and method of use EXELIXIS, INC. (US) 2011-07-12 — — US disclosed
US-20110077233-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2011-03-31 — — US disclosed
EP-2280003-A2 Process for preparing receptor-type kinase modulators Symphony Evolution, Inc. (US) 2011-02-02 — — EP disclosed
EP-2277867-A2 Compounds, pharmaceutical compositions thereof and their use in treating cancer Symphony Evolution, Inc. (US) 2011-01-26 — — EP 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
US-20080161305-A1 C-Met Modulators and Methods of Use EXELIXIS, INC. (US) 2008-07-03 — — 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 (7 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 CHRM2 28/4885CHRM1 23/4885CHRM3 17/4885
US-20150376133-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET CHRM2 1578/4885CHRM1 1727/4885CHRM3 861/4885
US-20160039819-A1 MUSCARINIC AGONISTS CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 CHRM2 3/4885CHRM1 5/4885CHRM3 1/4885
US-20080161305-A1 C-Met Modulators and Methods of Use MET, HGFAC, HGF CHRM2 2492/4885CHRM1 2494/4885CHRM3 2209/4885
US-20160129032-A1 Receptor-Type Kinase Modulators and Methods of Use EGFR, EPHA2, ERBB4 CHRM2 4039/4885CHRM1 4008/4885CHRM3 3403/4885
US-20110077233-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 CHRM2 2069/4885CHRM1 2317/4885CHRM3 1310/4885

“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.