SCHEMBL4091587

SCHEMBL4091587

CCc1cccc2c1OCC(=O)N2C[C@H](C)CN1CCC(OCC2CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.38
HTR1A P08908 5/20 0.38
HTR1D P28221 5/20 0.38
HTR1B P28222 5/20 0.38
SLC6A4 P31645 5/20 0.38
NMT1 P30419 3/20 0.38
CHRM1 P11229 5/20 0.37
NPY5R Q15761 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
HTR6 P50406 1/20 0.32
USP19 O94966 1/20 0.32
CHRM2 P08172 1/20 0.32
ALOX12 P18054 1/20 0.32
TSHR P16473 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL4091589 1.00 KCNH2 (0.38) KCNH2HTR1AHTR1DHTR1BSLC6A4
SCHEMBL4101542 0.86 CHRM1 (0.47) KCNH2CHRM1NPY5RPRMT5WDR77
SCHEMBL4101545 0.86 CHRM1 (0.47) KCNH2CHRM1NPY5RPRMT5WDR77
SCHEMBL4104038 0.83 CHRM1 (0.46) KCNH2CHRM1NPY5RPRMT5WDR77
SCHEMBL4091555 0.83 CHRM1 (0.46) KCNH2CHRM1NPY5RPRMT5WDR77
SCHEMBL4095999 0.77 CHRM1 (0.47) KCNH2CHRM1PRMT5WDR77CHRM2
SCHEMBL4096001 0.77 CHRM1 (0.47) KCNH2CHRM1PRMT5WDR77CHRM2
SCHEMBL4090343 0.76 HTR1A (0.41) KCNH2HTR1AHTR1DHTR1BSLC6A4
SCHEMBL4090339 0.76 HTR1A (0.41) KCNH2HTR1AHTR1DHTR1BSLC6A4
SCHEMBL13692830 0.75 CHRM1 (0.49) KCNH2NMT1CHRM1NPY5RPRMT5

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 6 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
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 KCNH2 714/4885HTR1A 31/4885HTR1D 40/4885
US-20140221364-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 KCNH2 347/4885HTR1A 175/4885HTR1D 313/4885
US-20090239903-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS CHRM3, CHRM5, CHRM2 KCNH2 347/4885HTR1A 175/4885HTR1D 313/4885

“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.