SCHEMBL5337029

SCHEMBL5337029

CCOCC1CCN(CCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.65
HTR2A P28223 2/20 0.52
DRD2 P14416 2/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
SLC6A4 P31645 1/20 0.50
HTR7 P34969 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 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
SCHEMBL5338758 0.93 HTR2A (0.61) HTR1AHTR2ADRD2DRD3HTR1D
SCHEMBL5335868 0.91 HTR1A (0.62) HTR1AHTR2ADRD2BCHEACHE
SCHEMBL5340451 0.89 HTR1A (0.68) HTR1AHTR2ADRD2SLC6A4HTR7
SCHEMBL5336185 0.87 HTR1A (0.73) HTR1AHTR2ADRD2BCHEACHE
SCHEMBL5336902 0.85 HTR1A (0.70) HTR1AHTR2ADRD2BCHEACHE
SCHEMBL5339214 0.85 HTR1A (0.70) HTR1AHTR2ADRD2SLC6A4HTR7
SCHEMBL5334447 0.84 HTR2A (0.58) HTR1AHTR2ADRD2BCHEACHE
SCHEMBL2149645 0.84 HTR1A (0.68) HTR1ADRD2BCHEACHESLC6A4
Hydrochloric Acid SCHEMBL5340382 0.83 HTR1A (0.67) HTR1ADRD2BCHEACHESLC6A4
SCHEMBL5342960 0.82 HTR1A (0.73) HTR1AHTR2ADRD2SLC6A4HTR7

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.