SCHEMBL5331285

SCHEMBL5331285

CCCOC1CCN(CCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.62
HTR1A P08908 2/20 0.55
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
DRD2 P14416 5/20 0.53
DRD3 P35462 5/20 0.53
DRD4 P21917 3/20 0.53
DRD1 P21728 2/20 0.53
DRD5 P21918 2/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
OPRL1 P41146 1/20 0.51

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
SCHEMBL5335569 0.93 HTR1A (0.67) HTR2AHTR1ADRD2DRD3DRD4
SCHEMBL5337334 0.93 HTR2A (0.60) HTR2AHTR1AADRA2AADRA2BADRA2C
SCHEMBL5331709 0.90 HTR2A (0.65) HTR2AHTR1AADRA2AADRA2BADRA2C
SCHEMBL5335661 0.87 HTR1A (0.65) HTR2AHTR1ADRD2DRD3
SCHEMBL5334447 0.85 HTR2A (0.58) HTR2AHTR1AADRA2AADRA2BADRA2C
SCHEMBL5335494 0.85 HTR2A (0.68) HTR2AHTR1AADRA2AADRA2BADRA2C
SCHEMBL5339214 0.83 HTR1A (0.70) HTR2AHTR1ADRD2DRD3DRD4
SCHEMBL5332152 0.83 HTR2A (0.65) HTR2AHTR1AADRA2AADRA2BADRA2C
SCHEMBL5331541 0.83 HTR2A (0.68) HTR2AHTR1AADRA2AADRA2BADRA2C
SCHEMBL5339006 0.82 DRD2 (0.75) HTR2AHTR1AADRA2AADRA2BADRA2C

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 HTR2A 235/4885HTR1A 118/4885ADRA2A 27/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 HTR2A 235/4885HTR1A 118/4885ADRA2A 27/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 HTR2A 235/4885HTR1A 118/4885ADRA2A 27/4885

“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.