SCHEMBL4089948

SCHEMBL4089948

CCc1cccc2c1OCC(=O)N2CCCCl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.43
HTR1D P28221 4/20 0.43
HTR1B P28222 4/20 0.43
SLC6A4 P31645 4/20 0.43
KCNH2 Q12809 4/20 0.43
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
MCHR1 Q99705 2/20 0.42
NMT1 P30419 3/20 0.42
HTR6 P50406 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.40
CHRM1 P11229 3/20 0.40
ALDH1A1 P00352 1/20 0.39
DRD4 P21917 1/20 0.38

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
SCHEMBL4089857 0.83 DRD2 (0.43) HTR1AKCNH2DRD2HTR2AMCHR1
SCHEMBL4101938 0.82 DRD2 (0.41) HTR1ADRD2HTR2AMCHR1NMT1
SCHEMBL4090343 0.80 HTR1A (0.41) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL4090339 0.80 HTR1A (0.41) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL318658 0.76 TSHR (0.58) HTR1AKCNH2DRD2HTR2AMCHR1
SCHEMBL4097720 0.75 CHRM1 (0.38) KCNH2DRD2HTR2AMCHR1HTR6
SCHEMBL4095122 0.73 DRD2 (0.36) DRD2HTR2AMCHR1THRBCHRM1
SCHEMBL4102223 0.73 NMT1 (0.39) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL1763884 0.72 DRD2 (0.57) HTR1AKCNH2DRD2HTR2AMCHR1
SCHEMBL4090236 0.72 SLC5A2 (0.48) THRBTSHR

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 HTR1A 31/4885HTR1D 40/4885HTR1B 20/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 HTR1A 175/4885HTR1D 313/4885HTR1B 150/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 HTR1A 175/4885HTR1D 313/4885HTR1B 150/4885

“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.