SCHEMBL4494415

SCHEMBL4494415

Cc1ccccc1C(=O)CCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.60
CHRM1 P11229 3/20 0.60
DRD2 P14416 3/20 0.60
CHRM2 P08172 1/20 0.60
CHRM4 P08173 1/20 0.60
CHRM5 P08912 1/20 0.60
ADRA2A P08913 1/20 0.60
ADRA2B P18089 1/20 0.60
CHRM3 P20309 1/20 0.60
DRD4 P21917 1/20 0.60
ADRA1D P25100 1/20 0.60
ADRA1A P35348 1/20 0.60
HRH1 P35367 1/20 0.60
ADRA1B P35368 1/20 0.60
HTR7 P34969 2/20 0.56
LMNA P02545 1/20 0.56
GFER P55789 1/20 0.56
KCNH2 Q12809 2/20 0.55
HTR2A P28223 1/20 0.53
CACNA1G O43497 1/20 0.52

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
SCHEMBL4504985 0.86 DRD2 (0.65) HTR1ACHRM1DRD2CHRM2CHRM4
SCHEMBL4498591 0.85 DRD2 (0.64) HTR1ACHRM1DRD2CHRM2CHRM4
SCHEMBL4498490 0.85 DRD2 (0.71) HTR1ACHRM1DRD2CHRM2CHRM4
SCHEMBL4511328 0.85 DRD2 (0.67) HTR1ACHRM1DRD2CHRM2CHRM4
SCHEMBL4501010 0.85 DRD2 (0.75) HTR1ACHRM1DRD2CHRM2CHRM4
SCHEMBL4500534 0.85 DRD2 (0.67) HTR1ACHRM1DRD2CHRM2CHRM4
SCHEMBL4557706 0.84 CHRM1 (0.60) HTR1ACHRM1DRD2CHRM2CHRM4
SCHEMBL11834795 0.84 HTR1A (0.56) HTR1ADRD2HTR7LMNAKCNH2
SCHEMBL4486407 0.83 CHRM1 (0.65) HTR1ACHRM1DRD2CHRM2CHRM4
SCHEMBL4498435 0.83 CHRM1 (0.72) HTR1ACHRM1DRD2CHRM2CHRM4

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 7 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
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 HTR1A 147/4885CHRM1 3/4885DRD2 470/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 HTR1A 147/4885CHRM1 3/4885DRD2 470/4885

“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.