SCHEMBL5332653

SCHEMBL5332653

CCCCC1CCN(CCCc2n[nH]c3ccc(O)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
ACHE P22303 1/20 0.41
HTR4 Q13639 1/20 0.41
GSK3B P49841 7/20 0.41
CDK2 P24941 1/20 0.41
CDK16 Q00536 1/20 0.41
DYRK1A Q13627 1/20 0.41
CHRM1 P11229 3/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
HTR1A P08908 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM3 P20309 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 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
SCHEMBL5335316 0.92 HRH3 (0.43) HRH3ACHEHTR4GSK3BCDK2
SCHEMBL5331604 0.86 GSK3B (0.52) GSK3BCDK2CDK16DYRK1AHTR1A
SCHEMBL5331696 0.85 HRH3 (0.51) HRH3ACHECHRM1DRD2DRD4
Hydrochloric Acid SCHEMBL6222193 0.84 HRH3 (0.50) HRH3ACHECHRM1DRD2DRD4
SCHEMBL5344240 0.83 MCHR1 (0.41) HRH3ACHEHTR4GSK3BCHRM1
SCHEMBL5335731 0.80 HRH3 (0.46) HRH3ACHEHTR4CHRM1DRD2
SCHEMBL5339530 0.80 GSK3B (0.46) HRH3GSK3BCDK2CDK16DYRK1A
SCHEMBL5332684 0.79 HRH3 (0.50) HRH3ACHECHRM1DRD2DRD4
SCHEMBL7134511 0.78 CYP3A4 (0.44) ACHECHRM1HTR1ACHRM2CHRM5
SCHEMBL5332597 0.74 PARP1 (0.47) HRH3ACHEDRD2HTR1ABCHE

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-20050113357-A1 Muscarinic agonists ANDERSON CARL-MAGNUS A (DK) 2005-05-26 US claimed
EP-1278741-B1 MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-03-02 EP claimed
US-6627645-B2 Cholinergic agents ACADIA PHARMACEUTICALS, INC. 2003-09-30 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 42/4885ACHE 22/4885HTR4 100/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 HRH3 42/4885ACHE 22/4885HTR4 100/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 HRH3 42/4885ACHE 22/4885HTR4 100/4885

“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.