SCHEMBL4509506

SCHEMBL4509506

CCCCOC1CCN(CCCC(=O)c2ccccc2C)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.71
DRD2 P14416 5/20 0.71
CHRM1 P11229 4/20 0.71
DRD4 P21917 4/20 0.71
CHRM3 P20309 3/20 0.71
CHRM2 P08172 2/20 0.71
CHRM4 P08173 2/20 0.71
HTR1A P08908 2/20 0.71
CHRM5 P08912 2/20 0.71
ADRA2A P08913 2/20 0.71
ADRA2B P18089 2/20 0.71
ADRA1D P25100 2/20 0.71
ADRA1A P35348 2/20 0.71
ADRA1B P35368 2/20 0.71
DRD3 P35462 3/20 0.47
BCHE P06276 1/20 0.44
HRH2 P25021 6/20 0.43
KCNH2 Q12809 2/20 0.42
CYP2J2 P51589 1/20 0.42
NPC1 O15118 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
SCHEMBL4490238 0.94 DRD2 (0.69) HRH1DRD2CHRM1DRD4CHRM3
SCHEMBL4502742 0.90 DRD2 (0.68) HRH1DRD2CHRM1DRD4CHRM3
SCHEMBL27543458 0.86 HRH1 (0.53) HRH1DRD2CHRM1DRD4CHRM3
SCHEMBL4500671 0.85 DRD2 (0.67) HRH1DRD2CHRM1DRD4CHRM3
SCHEMBL4501010 0.83 DRD2 (0.75) HRH1DRD2CHRM1DRD4CHRM3
SCHEMBL31060842 0.83 DRD2 (1.00) HRH1DRD2CHRM1DRD4CHRM3
SCHEMBL4504348 0.83 DRD2 (1.00) HRH1DRD2CHRM1DRD4CHRM3
Hydrochloric Acid SCHEMBL4171949 0.82 CHRM1 (1.00) HRH1DRD2CHRM1DRD4CHRM3
SCHEMBL4500204 0.81 DRD2 (0.72) HRH1DRD2CHRM1DRD4CHRM3
SCHEMBL4498435 0.81 CHRM1 (0.72) HRH1DRD2CHRM1DRD4CHRM3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485651-B2 Compounds with activity on muscarinic receptors ACADIA PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-20080108618-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS BRANN MARK 2008-05-08 US disclosed
US-20030144285-A1 Compounds with activity on muscarinic receptors BRANN MARK (US) 2003-07-31 US disclosed
US-6528529-B1 4-Methoxy-1-(4-(2-methylphenyl)-4-oxo-1-butyl)piperidine ACADIA PHARMACEUTICALS INC. 2003-03-04 US disclosed
WO-2001005763-A2 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS ACADIA PHARMACEUTICALS, INC. (US) 2001-01-25 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 (2 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-20080108618-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS CHRM3, CHRM2, CHRM1 HRH1 71/4885DRD2 470/4885CHRM1 3/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 HRH1 71/4885DRD2 470/4885CHRM1 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.