SCHEMBL5345306

SCHEMBL5345306

CCCCC1CCN(CCCC(=O)c2cc3ccccc3o2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.61
CHRM2 P08172 1/20 0.61
CHRM4 P08173 1/20 0.61
HTR1A P08908 1/20 0.61
CHRM5 P08912 1/20 0.61
ADRA2A P08913 1/20 0.61
DRD2 P14416 1/20 0.61
ADRA2B P18089 1/20 0.61
CHRM3 P20309 1/20 0.61
DRD4 P21917 1/20 0.61
ADRA1D P25100 1/20 0.61
ADRA1A P35348 1/20 0.61
HRH1 P35367 1/20 0.61
ADRA1B P35368 1/20 0.61
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
HRH3 Q9Y5N1 3/20 0.49
CYP2J2 P51589 3/20 0.47
MMP13 P45452 1/20 0.46
ACHE P22303 3/20 0.46

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
SCHEMBL5335284 0.79 DRD2 (0.55) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL11343143 0.79 HDAC3 (0.60) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4509670 0.79 CHRM1 (0.72) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL5345293 0.78 CHRM1 (0.62) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL251270 0.78 ACHE (0.65) HTR1ADRD2DRD4ACHEHTR4
SCHEMBL4510566 0.78 CHRM1 (0.74) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL5335803 0.77 DRD2 (0.61) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL4489441 0.77 DRD2 (0.77) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL9046068 0.77 HDAC3 (0.58) ALDH1A1SMN1; SMN2HDAC3
SCHEMBL7381022 0.76 MMP13 (0.54) HTR1ADRD2SLC6A2SLC6A4HRH3

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 CHRM1 2/4885CHRM2 1/4885CHRM4 3/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 CHRM1 2/4885CHRM2 1/4885CHRM4 3/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 CHRM1 2/4885CHRM2 1/4885CHRM4 3/4885

“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.