SCHEMBL4615731

SCHEMBL4615731

Cc1ccc(NC(=O)CN(C)C)cc1C1CCN(Cc2ccc([S+]([O-])c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.49
ADRA1A P35348 1/20 0.49
DRD4 P21917 2/20 0.41
DRD3 P35462 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 2/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CACNA1G O43497 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ACKR3 P25106 2/20 0.39
NLRP3 Q96P20 1/20 0.39
LTA4H P09960 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
SCHEMBL4637017 0.89 DRD2 (0.49) DRD2ADRA1ADRD4DRD3SMN1; SMN2
SCHEMBL4616983 0.88 DRD2 (0.50) DRD2ADRA1ADRD4DRD3L3MBTL1
SCHEMBL4618120 0.86 DRD2 (0.65) DRD2ADRA1A
SCHEMBL5388497 0.79 DRD2 (0.45) DRD2ADRA1ADRD4DRD3L3MBTL1
SCHEMBL4618239 0.77 MEN1 (0.43) DRD2ADRA1ADRD4DRD3ATM
SCHEMBL4616768 0.77 DRD2 (0.50) DRD2ADRA1ADRD4DRD3SMN1; SMN2
Hydrochloric Acid SCHEMBL4854584 0.77 DRD2 (0.62) DRD2ADRA1ADRD4L3MBTL1TP53
SCHEMBL4617195 0.77 DRD2 (0.49) DRD2ADRA1ADRD4DRD3SMN1; SMN2
SCHEMBL4617776 0.76 DRD2 (0.51) DRD2ADRA1ADRD4DRD3SMN1; SMN2
SCHEMBL4618065 0.76 DRD2 (0.50) DRD2ADRA1ADRD4DRD3SMN1; SMN2

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-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
EP-1799223-A4 ARYLTHIOBENZYLPIPERIDINE DERIVATES LUNDBECK & CO AS H (DK) 2008-01-23 EP disclosed
EP-1799223-A2 ARYLTHIOBENZYLPIPERIDINE DERIVATES H.Lundbeck A/S (DK) 2007-06-27 EP disclosed
WO-2006041635-A2 ARYLTHIOBENZYLPIPERIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-04-20 WO disclosed
US-20060079683-A1 Arylthiobenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2006-04-13 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 (3 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 DRD2 156/4885ADRA1A 75/4885DRD4 129/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 DRD2 210/4885ADRA1A 54/4885DRD4 167/4885
US-20060079683-A1 Arylthiobenzylpiperidine derivatives MCHR1, MC4R, MCHR2 DRD2 217/4885ADRA1A 50/4885DRD4 167/4885

“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.