SCHEMBL5335569

SCHEMBL5335569

CCCOC1CCN(CCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.67
HTR2A P28223 2/20 0.53
DRD2 P14416 3/20 0.51
DRD3 P35462 2/20 0.51
SLC6A4 P31645 1/20 0.51
HTR7 P34969 1/20 0.51
HRH1 P35367 1/20 0.51
DRD4 P21917 1/20 0.50

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
SCHEMBL5335661 0.94 HTR1A (0.65) HTR1AHTR2ADRD2DRD3SLC6A4
SCHEMBL5331285 0.93 HTR2A (0.62) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL5339214 0.91 HTR1A (0.70) HTR1AHTR2ADRD2DRD3SLC6A4
SCHEMBL5337334 0.89 HTR2A (0.60) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL5342960 0.86 HTR1A (0.73) HTR1AHTR2ADRD2DRD3SLC6A4
SCHEMBL5335868 0.86 HTR1A (0.62) HTR1AHTR2ADRD2
SCHEMBL5336902 0.84 HTR1A (0.70) HTR1AHTR2ADRD2DRD3SLC6A4
SCHEMBL5331709 0.83 HTR2A (0.65) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL5336185 0.83 HTR1A (0.73) HTR1AHTR2ADRD2DRD3SLC6A4
SCHEMBL5336128 0.83 HTR1A (0.77) HTR1AHTR2ADRD2DRD3SLC6A4

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-20070155795-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2007-07-05 US disclosed
US-7238713-B2 Muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
EP-1535912-A1 Muscarinic agonists Arcadia Pharmaceuticals Inc. (US) 2005-06-01 EP disclosed
US-20050113357-A1 Muscarinic agonists ANDERSON CARL-MAGNUS A (DK) 2005-05-26 US disclosed
US-6627645-B2 Cholinergic agents ACADIA PHARMACEUTICALS, INC. 2003-09-30 US disclosed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 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-20020037886-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 HTR1A 118/4885HTR2A 235/4885DRD2 476/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 HTR1A 118/4885HTR2A 235/4885DRD2 476/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 HTR1A 118/4885HTR2A 235/4885DRD2 476/4885

“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.