SCHEMBL4097461

SCHEMBL4097461

O=C1COc2c(F)ccc(F)c2N1CCCCl

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.33
TERT O14746 1/20 0.32
EGFR P00533 2/20 0.32
CHRM1 P11229 3/20 0.31
CHRM2 P08172 1/20 0.31
RRM1 P23921 1/20 0.31
RRM2B Q7LG56 1/20 0.31
SLC5A2 P31639 3/20 0.31
HTR6 P50406 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
MCHR1 Q99705 2/20 0.31
DRD4 P21917 1/20 0.30

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
SCHEMBL4097720 0.81 CHRM1 (0.38) KMOEGFRCHRM1HTR6CHRM5
SCHEMBL4089857 0.81 DRD2 (0.43) TERTCHRM1HTR6CHRM5CHRM3
SCHEMBL4095839 0.81 KMO (0.39) KMOEGFRCHRM1CHRM5CHRM3
SCHEMBL4102090 0.75 CHRM1 (0.38) KMOEGFRCHRM1CHRM5CHRM3
SCHEMBL4090229 0.75 CHRM1 (0.36) KMOEGFRCHRM1SLC5A2CHRM5
SCHEMBL4097889 0.74 CHRM1 (0.35) KMOEGFRCHRM1SLC5A2CHRM5
SCHEMBL4104786 0.73 DRD2 (0.41) KMOCHRM1DRD2HTR2AMCHR1
SCHEMBL4107093 0.72 CHRM1 (0.41) CHRM1CHRM2CHRM5CHRM3DRD2
SCHEMBL5338800 0.72 CHRM1 (0.34) KMOEGFRCHRM1SLC5A2CHRM5
SCHEMBL4054963 0.71 CHRM1 (0.54) KMOEGFRCHRM1CHRM5CHRM3

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 8 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-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
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 (3 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 KMO 148/4885TERT 3707/4885EGFR 2205/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 KMO 546/4885TERT 2065/4885EGFR 2770/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 KMO 546/4885TERT 2065/4885EGFR 2770/4885

“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.