SCHEMBL4811543

SCHEMBL4811543

CCOc1ccc(NC(=O)OC)cc1C1CCN(Cc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SCN7A Q01118 1/20 0.44
SCN5A Q14524 1/20 0.44
SSTR5 P35346 2/20 0.43
KCNH2 Q12809 1/20 0.43
CCR5 P51681 5/20 0.43
DRD2 P14416 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
ADRA1A P35348 1/20 0.41
ACHE P22303 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FAAH O00519 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4811463 0.89 DRD2 (0.47) LMNASCN7ASCN5ACCR5DRD2
SCHEMBL4616552 0.83 CXCR3 (0.42) SCN7ASCN5ACCR5DRD2ADRA1A
SCHEMBL4810317 0.82 DRD2 (0.52) LMNAALDH1A1KCNH2DRD2ADRA1A
SCHEMBL5394994 0.80 DRD2 (0.46) LMNADRD2ADRA1ACA12CA1
SCHEMBL4617024 0.78 DRD2 (0.57) DRD2ADRA1ACA12CA1CA2
SCHEMBL4617195 0.77 DRD2 (0.49) DRD2ADRA1AACHECA12CA1
SCHEMBL4617548 0.76 DRD2 (0.61) SCN7ASCN5ADRD2ADRA1A
SCHEMBL4615593 0.76 DRD2 (0.66) DRD2ADRA1A
SCHEMBL4615218 0.76 CA12 (0.52) DRD2ADRA1AACHECA12CA1
SCHEMBL4617774 0.76 DRD2 (0.54) LMNAALDH1A1DRD2ADRA1AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives H. LUNDBECK A/S (DK) 2008-06-12 US disclosed
US-7329656-B2 Arylthiobenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2008-02-12 US disclosed
US-20060079523-A1 N-[3-(1-{[4-(4-fluorophenylthio)phenyl]methyl}(4-piperidyl))-4-methylphenyl]-2-methylpropanamide; melatonin-concentrating hormone (MCH1) receptor ligand; antidepressant, anxiolytic, antidiabetic agent H. LUNDBECK A/S 2006-04-13 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-20060079523-A1 N-[3-(1-{[4-(4-fluorophenylthio)phenyl]methyl}(4-piperidyl))-4-methylphenyl]-2-methylpropanamide; melatonin-concentrating hormone (MCH1) receptor ligand; antidepressant, anxiolytic, antidiabetic agent MCHR1, MTNR1A, MTNR1B LMNA 3924/4885ALDH1A1 404/4885SCN7A 4453/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 LMNA 4674/4885ALDH1A1 332/4885SCN7A 3581/4885

“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.