SCHEMBL5334955

SCHEMBL5334955

CCCCC1CCN(CCCn2cc(CC#N)c3ccccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
CHRM1 P11229 4/20 0.44
DRD2 P14416 4/20 0.44
DRD4 P21917 4/20 0.44
CHRM2 P08172 3/20 0.44
CHRM4 P08173 3/20 0.44
CHRM5 P08912 3/20 0.44
CHRM3 P20309 3/20 0.44
DRD3 P35462 3/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
HRH1 P35367 1/20 0.43
MEN1 O00255 1/20 0.42
RAD52 P43351 1/20 0.42

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
SCHEMBL5337348 0.87 CHRM1 (0.48) HRH3CHRM1DRD2DRD4CHRM2
SCHEMBL5331988 0.85 P2RX7 (0.55) HRH3CHRM1DRD2DRD4CHRM2
SCHEMBL5335147 0.82 CHRM1 (0.53) HRH3CHRM1DRD2DRD4CHRM2
SCHEMBL5442774 0.81 ADRA1D (0.50) HRH3CHRM1DRD2DRD4CHRM2
SCHEMBL5332639 0.79 ALDH1A1 (0.49) HRH3CHRM1DRD2DRD4CHRM2
SCHEMBL5335371 0.78 CHRM1 (0.53) CHRM1DRD2DRD4CHRM2CHRM4
SCHEMBL5450012 0.77 CNR1 (0.56) CHRM1DRD2DRD4CHRM2CHRM4
SCHEMBL14411752 0.77 CHRM1 (0.44) HRH3CHRM1DRD2DRD4CHRM2
SCHEMBL5454517 0.76 CNR2 (0.54) CHRM1DRD2DRD4CHRM2CHRM4
SCHEMBL5444289 0.76 CHRM1 (0.51) CHRM1DRD2DRD4CHRM2CHRM4

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 42/4885CHRM1 2/4885DRD2 476/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 HRH3 42/4885CHRM1 2/4885DRD2 476/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 HRH3 42/4885CHRM1 2/4885DRD2 476/4885

“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.