SCHEMBL5333833

SCHEMBL5333833

CCCCC1CCN(CCCc2nc3cc(C(C)(C)C)ccc3[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
ACHE P22303 1/20 0.41
HTR4 Q13639 1/20 0.41
CHRNA7 P36544 1/20 0.40
DRD2 P14416 4/20 0.39
DRD3 P35462 3/20 0.39
DRD4 P21917 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM3 P20309 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39

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
SCHEMBL5334974 0.84 CHRNA7 (0.57) HRH3CHRNA7DRD2DRD3DRD4
SCHEMBL5331372 0.82 KDM4E (0.49) HRH3ACHEHTR4CHRNA7DRD2
SCHEMBL5332948 0.81 HRH3 (0.43) HRH3ACHEHTR4CHRNA7DRD2
SCHEMBL5335204 0.80 PARP1 (0.43) HRH3ACHEHTR4DRD2DRD3
SCHEMBL5335558 0.78 CHRNA7 (0.58) HRH3CHRNA7DRD2DRD3DRD4
SCHEMBL4498788 0.78 CHRNA7 (0.64) HRH3CHRNA7DRD2DRD3DRD4
SCHEMBL9913508 0.77 PDE10A (0.43)
SCHEMBL5334895 0.76 HRH4 (0.45) HRH3ACHEHTR4DRD2DRD3
SCHEMBL18659849 0.76 PDE10A (0.48)
SCHEMBL5335297 0.75 HRH3 (0.40) HRH3ACHEHTR4CHRNA7DRD2

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 HRH3 42/4885SIGMAR1 266/4885ACHE 22/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 HRH3 42/4885SIGMAR1 266/4885ACHE 22/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 HRH3 42/4885SIGMAR1 266/4885ACHE 22/4885

“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.