SCHEMBL4495358

SCHEMBL4495358

CCCC1CCCCN1CCCC(=O)c1ccccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.59
DRD2 P14416 2/20 0.59
CHRM2 P08172 1/20 0.59
CHRM4 P08173 1/20 0.59
HTR1A P08908 1/20 0.59
CHRM5 P08912 1/20 0.59
ADRA2A P08913 1/20 0.59
ADRA2B P18089 1/20 0.59
CHRM3 P20309 1/20 0.59
DRD4 P21917 1/20 0.59
ADRA1D P25100 1/20 0.59
ADRA1A P35348 1/20 0.59
HRH1 P35367 1/20 0.59
ADRA1B P35368 1/20 0.59
TP53 P04637 2/20 0.50
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.46
TSHR P16473 1/20 0.44
OPRD1 P41143 2/20 0.43

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
SCHEMBL7997393 0.94 CHRM1 (0.64) CHRM1DRD2CHRM2CHRM4HTR1A
Hydrochloric Acid SCHEMBL4061569 0.93 CHRM1 (0.65) CHRM1DRD2CHRM2CHRM4HTR1A
SCHEMBL4492882 0.91 CHRM1 (0.56) CHRM1DRD2CHRM2CHRM4HTR1A
SCHEMBL4500024 0.88 CHRM1 (0.53) CHRM1DRD2CHRM2CHRM4HTR1A
SCHEMBL7752363 0.79 S1PR1 (0.49) CHRM1DRD2CHRM2CHRM4HTR1A
SCHEMBL27541454 0.76 LMNA (0.43) CHRM1DRD2CHRM2CHRM4HTR1A
SCHEMBL4500534 0.76 DRD2 (0.67) CHRM1DRD2CHRM2CHRM4HTR1A
SCHEMBL4486407 0.75 CHRM1 (0.65) CHRM1DRD2CHRM2CHRM4HTR1A
SCHEMBL4504348 0.74 DRD2 (1.00) CHRM1DRD2CHRM2CHRM4HTR1A
SCHEMBL31060842 0.74 DRD2 (1.00) CHRM1DRD2CHRM2CHRM4HTR1A

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 CHRM1 3/4885DRD2 470/4885CHRM2 2/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 CHRM1 3/4885DRD2 470/4885CHRM2 2/4885

“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.