SCHEMBL4494582

SCHEMBL4494582

CCCCC1CN(CCCC(=O)c2ccccc2C)C1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.78
DRD4 P21917 4/20 0.78
CHRM1 P11229 3/20 0.78
CHRM2 P08172 1/20 0.78
CHRM4 P08173 1/20 0.78
HTR1A P08908 1/20 0.78
CHRM5 P08912 1/20 0.78
ADRA2A P08913 1/20 0.78
ADRA2B P18089 1/20 0.78
CHRM3 P20309 1/20 0.78
ADRA1D P25100 1/20 0.78
ADRA1A P35348 1/20 0.78
HRH1 P35367 1/20 0.78
ADRA1B P35368 1/20 0.78
DRD3 P35462 3/20 0.41
CTNNB1 P35222 5/20 0.39
WNT3A P56704 5/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL7151613 0.89 CHRM1 (0.76) DRD2DRD4CHRM1CHRM2CHRM4
SCHEMBL31060842 0.88 DRD2 (1.00) DRD2DRD4CHRM1CHRM2CHRM4
SCHEMBL4504348 0.88 DRD2 (1.00) DRD2DRD4CHRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL4171949 0.87 CHRM1 (1.00) DRD2DRD4CHRM1CHRM2CHRM4
SCHEMBL27537904 0.84 CHRM1 (0.57) DRD2DRD4CHRM1CHRM2CHRM4
SCHEMBL4500530 0.84 CHRM1 (0.93) DRD2DRD4CHRM1CHRM2CHRM4
SCHEMBL4501010 0.83 DRD2 (0.75) DRD2DRD4CHRM1CHRM2CHRM4
SCHEMBL4508385 0.81 CHRM1 (0.58) DRD2DRD4CHRM1CHRM2CHRM4
SCHEMBL4498435 0.81 CHRM1 (0.72) DRD2DRD4CHRM1CHRM2CHRM4
SCHEMBL4498490 0.80 DRD2 (0.71) DRD2DRD4CHRM1CHRM2CHRM4

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
EP-1068185-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS Acadia Pharmaceuticals Inc. (US) 2001-01-17 EP disclosed
WO-1999050247-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS ACADIA PHARMACEUTICALS, INC. (US) 1999-10-07 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 DRD2 470/4885DRD4 824/4885CHRM1 3/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 DRD2 470/4885DRD4 824/4885CHRM1 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.