SCHEMBL4500530

SCHEMBL4500530

CCCCC1CCN(CCCCC(=O)c2ccccc2C)CC1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.93
DRD2 P14416 4/20 0.93
DRD4 P21917 3/20 0.93
CHRM2 P08172 2/20 0.93
CHRM4 P08173 2/20 0.93
CHRM5 P08912 2/20 0.93
CHRM3 P20309 2/20 0.93
ADRA1D P25100 2/20 0.93
ADRA1A P35348 2/20 0.93
ADRA1B P35368 2/20 0.93
HTR1A P08908 1/20 0.93
ADRA2A P08913 1/20 0.93
ADRA2B P18089 1/20 0.93
HRH1 P35367 1/20 0.93
HTR4 Q13639 6/20 0.49
ACHE P22303 5/20 0.49
HRH3 Q9Y5N1 1/20 0.49
DRD3 P35462 2/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47

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
SCHEMBL31060842 0.96 DRD2 (1.00) CHRM1DRD2DRD4CHRM2CHRM4
SCHEMBL4504348 0.96 DRD2 (1.00) CHRM1DRD2DRD4CHRM2CHRM4
Hydrochloric Acid SCHEMBL4171949 0.95 CHRM1 (1.00) CHRM1DRD2DRD4CHRM2CHRM4
SCHEMBL4499158 0.87 DRD2 (0.83) CHRM1DRD2DRD4CHRM2CHRM4
SCHEMBL4496608 0.85 CHRM1 (0.69) CHRM1DRD2DRD4CHRM2CHRM4
SCHEMBL4501134 0.85 CHRM1 (0.79) CHRM1DRD2DRD4CHRM2CHRM4
SCHEMBL4509346 0.85 CHRM1 (0.79) CHRM1DRD2DRD4CHRM2CHRM4
SCHEMBL4494582 0.84 DRD2 (0.78) CHRM1DRD2DRD4CHRM2CHRM4
SCHEMBL4497800 0.84 CHRM1 (0.77) CHRM1DRD2DRD4CHRM2CHRM4
SCHEMBL4510024 0.84 DRD2 (0.77) 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 4 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

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 CHRM1 3/4885DRD2 470/4885DRD4 824/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 CHRM1 3/4885DRD2 470/4885DRD4 824/4885

“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.