SCHEMBL4512299

SCHEMBL4512299

Cc1ccccc1C(=O)CCCN1CCC(C)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.72
CHRM1 P11229 3/20 0.72
DRD4 P21917 3/20 0.72
ADRA1A P35348 3/20 0.72
CHRM2 P08172 2/20 0.72
HTR1A P08908 2/20 0.72
ADRA2A P08913 2/20 0.72
ADRA1D P25100 2/20 0.72
ADRA1B P35368 2/20 0.72
CHRM4 P08173 1/20 0.72
CHRM5 P08912 1/20 0.72
ADRA2B P18089 1/20 0.72
CHRM3 P20309 1/20 0.72
HRH1 P35367 1/20 0.72
DRD3 P35462 3/20 0.59
MEN1 O00255 1/20 0.59
DRD1 P21728 1/20 0.59
OPRM1 P35372 1/20 0.59
KMT2A Q03164 1/20 0.59
KCNH2 Q12809 1/20 0.59

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
SCHEMBL4500534 0.86 DRD2 (0.67) DRD2CHRM1DRD4ADRA1ACHRM2
SCHEMBL4500671 0.86 DRD2 (0.67) DRD2CHRM1DRD4ADRA1ACHRM2
SCHEMBL4486407 0.85 CHRM1 (0.65) DRD2CHRM1DRD4ADRA1ACHRM2
SCHEMBL4504985 0.85 DRD2 (0.65) DRD2CHRM1DRD4ADRA1ACHRM2
SCHEMBL4508385 0.84 CHRM1 (0.58) DRD2CHRM1DRD4ADRA1ACHRM2
SCHEMBL4501097 0.84 DRD2 (0.71) DRD2CHRM1DRD4ADRA1ACHRM2
SCHEMBL4504348 0.84 DRD2 (1.00) DRD2CHRM1DRD4ADRA1ACHRM2
SCHEMBL4490224 0.84 DRD2 (0.65) DRD2CHRM1DRD4ADRA1ACHRM2
SCHEMBL31060842 0.84 DRD2 (1.00) DRD2CHRM1DRD4ADRA1ACHRM2
SCHEMBL4510530 0.84 CHRM1 (0.71) DRD2CHRM1DRD4ADRA1ACHRM2

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 6 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
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 470/4885CHRM1 3/4885DRD4 824/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 DRD2 470/4885CHRM1 3/4885DRD4 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.