SCHEMBL4095839

SCHEMBL4095839

O=C1COc2ccc(F)c(F)c2N1CCCCl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.39
EGFR P00533 2/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
MCHR1 Q99705 2/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
DRD4 P21917 1/20 0.34
CHRM1 P11229 2/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4097461 0.81 KMO (0.33) KMOEGFRDRD2HTR2AMCHR1
SCHEMBL4097720 0.78 CHRM1 (0.38) KMOEGFRDRD2HTR2AMCHR1
SCHEMBL4102090 0.78 CHRM1 (0.38) KMOEGFRDRD2CHRM1CHRM5
SCHEMBL4104786 0.77 DRD2 (0.41) KMODRD2HTR2AMCHR1CHRM1
SCHEMBL4096802 0.76 KMO (0.50) KMOEGFRDRD2HTR2AMCHR1
SCHEMBL4054963 0.75 CHRM1 (0.54) KMOEGFRDRD2HTR2AMCHR1
SCHEMBL4052306 0.73 CHRM1 (0.58) KMOEGFRDRD2HTR2AMCHR1
SCHEMBL318658 0.71 TSHR (0.58) HTR1ADRD2HTR2AMCHR1DRD4
SCHEMBL4096317 0.71 KMO (0.54) KMOEGFRDRD2HTR2AMCHR1
SCHEMBL328352 0.70 KMO (0.50) KMODRD2HTR2AMCHR1USP2

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 148/4885EGFR 2205/4885HTR1A 31/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 KMO 546/4885EGFR 2770/4885HTR1A 175/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 KMO 546/4885EGFR 2770/4885HTR1A 175/4885

“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.