SCHEMBL5338397

SCHEMBL5338397

CCCCC1CCN(CCCc2nc3ccccc3s2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 17/20 0.60
DRD2 P14416 17/20 0.60
DRD4 P21917 13/20 0.60
HTR1A P08908 10/20 0.57
HTR7 P34969 10/20 0.57
HRH1 P35367 4/20 0.57
HTR2B P41595 3/20 0.57
ADRA2A P08913 2/20 0.57
ADRA2C P18825 2/20 0.57
SLC6A2 P23975 2/20 0.57
ADRA1A P35348 2/20 0.57
SIGMAR1 Q99720 1/20 0.57
HTR2A P28223 8/20 0.55
HTR2C P28335 5/20 0.55
SLC6A4 P31645 5/20 0.55
DRD1 P21728 3/20 0.55
ADRA2B P18089 1/20 0.55
ADRA1D P25100 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55

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
SCHEMBL5331466 0.97 DRD2 (0.59) DRD3DRD2DRD4HTR1AHTR7
SCHEMBL5337836 0.94 DRD3 (0.61) DRD3DRD2DRD4HTR1AHTR7
SCHEMBL5335906 0.94 DRD2 (0.53) DRD3DRD2DRD4HTR1AHTR7
SCHEMBL5333979 0.91 DRD2 (0.60) DRD3DRD2DRD4HTR1AHTR7
SCHEMBL5332735 0.90 DRD3 (0.64) DRD3DRD2DRD4HTR1AHTR7
SCHEMBL5332518 0.87 DRD2 (0.53) DRD3DRD2DRD4HTR1AHTR7
SCHEMBL5337658 0.86 DRD2 (0.62) DRD3DRD2DRD4HTR1AHTR7
SCHEMBL5337667 0.84 DRD2 (0.67) DRD3DRD2DRD4HTR1AHTR7
SCHEMBL5334363 0.82 DRD2 (0.54) DRD3DRD2DRD4HTR1AHTR7
SCHEMBL3027843 0.81 CYP1A2 (0.50) HTR1AHTR7HTR2ATMEM97

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113357-A1 Muscarinic agonists ANDERSON CARL-MAGNUS A (DK) 2005-05-26 US claimed
EP-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP claimed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 US claimed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 WO claimed
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
EP-1278741-B1 MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-03-02 EP disclosed
US-6627645-B2 Cholinergic agents ACADIA PHARMACEUTICALS, INC. 2003-09-30 US disclosed
EP-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 US disclosed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 WO 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 DRD3 682/4885DRD2 476/4885DRD4 544/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 DRD3 682/4885DRD2 476/4885DRD4 544/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 DRD3 682/4885DRD2 476/4885DRD4 544/4885

“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.