SCHEMBL5334716

SCHEMBL5334716

c1ccc(CC2CCN(CCCc3cc4ccccc4s3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.61
SLC6A4 P31645 3/20 0.61
SIGMAR1 Q99720 3/20 0.59
CCR3 P51677 2/20 0.59
HRH3 Q9Y5N1 1/20 0.54
KCNH2 Q12809 1/20 0.53
ABCB1 P08183 1/20 0.53
TMEM97 Q5BJF2 1/20 0.52
GRIN2B Q13224 2/20 0.52
PRMT3 O60678 1/20 0.51
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
PRMT1 Q99873 1/20 0.51
PRMT8 Q9NR22 1/20 0.51
GRIN2A Q12879 1/20 0.51
DRD4 P21917 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
SCHEMBL7011857 0.94 SLC6A2 (0.56) SLC6A2SLC6A4SIGMAR1CCR3HRH3
SCHEMBL5332205 0.83 DRD2 (0.52) SLC6A4SIGMAR1HRH3
SCHEMBL7011862 0.82 SLC6A2 (0.47) SLC6A2SLC6A4SIGMAR1CCR3HRH3
SCHEMBL5336314 0.82 DRD2 (0.53) SLC6A2SLC6A4HRH3KCNH2DRD4
SCHEMBL7409408 0.79 SIGMAR1 (0.91) SLC6A2SLC6A4SIGMAR1CCR3HRH3
Hydrochloric Acid SCHEMBL7404260 0.78 SIGMAR1 (0.88) SLC6A2SLC6A4SIGMAR1CCR3HRH3
SCHEMBL6696545 0.76 DRD2 (0.50) SLC6A4SIGMAR1
SCHEMBL7374609 0.75 SIGMAR1 (1.00) SLC6A2SLC6A4SIGMAR1CCR3HRH3
SCHEMBL5331290 0.74 DRD2 (0.57) SLC6A4ABCB1DRD4
Hydrochloric Acid SCHEMBL7407431 0.74 SIGMAR1 (0.97) SLC6A2SLC6A4SIGMAR1CCR3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155795-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2007-07-05 US claimed
US-7238713-B2 Muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2007-07-03 US claimed
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 SLC6A2 683/4885SLC6A4 972/4885SIGMAR1 266/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 SLC6A2 683/4885SLC6A4 972/4885SIGMAR1 266/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 SLC6A2 683/4885SLC6A4 972/4885SIGMAR1 266/4885

“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.