SCHEMBL5332684

SCHEMBL5332684

CCCC1CCN(CCCc2n[nH]c3ccccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
DRD2 P14416 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
PARP1 P09874 2/20 0.43
SLC6A4 P31645 1/20 0.43
HTR1A P08908 1/20 0.42
ACHE P22303 2/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL5331696 0.94 HRH3 (0.51) HRH3DRD2CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL6222193 0.93 HRH3 (0.50) HRH3DRD2CHRM2CHRM4CHRM5
SCHEMBL5332597 0.91 PARP1 (0.47) HRH3DRD2PARP1SLC6A4HTR1A
SCHEMBL5332055 0.85 SIGMAR1 (0.49) HRH3DRD2DRD4DRD3PARP1
SCHEMBL5332653 0.79 HRH3 (0.43) HRH3DRD2CHRM2CHRM4CHRM5
SCHEMBL5335316 0.79 HRH3 (0.43) HRH3DRD2CHRM2CHRM4CHRM5
SCHEMBL5331281 0.79 ACHE (0.61) HRH3DRD2CHRM2CHRM4CHRM5
SCHEMBL5335731 0.78 HRH3 (0.46) HRH3DRD2CHRM2CHRM4CHRM5
SCHEMBL5336902 0.78 HTR1A (0.70) DRD2DRD3SLC6A4HTR1AACHE
SCHEMBL5339530 0.78 GSK3B (0.46) HRH3HTR1A

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 7 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
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
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 HRH3 42/4885DRD2 476/4885CHRM2 1/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 HRH3 42/4885DRD2 476/4885CHRM2 1/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 HRH3 42/4885DRD2 476/4885CHRM2 1/4885

“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.