SCHEMBL4615772

SCHEMBL4615772

Cc1cc(C)cc(S(=O)(=O)c2ccc(CN3CCC(c4cc(N)ccc4C)CC3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.40
DRD2 P14416 3/20 0.39
CA2 P00918 3/20 0.39
ADRA1A P35348 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL4617537 0.94 HTR6 (0.42) HTR6DRD2CA2DRD4DRD3
SCHEMBL4636515 0.91 DRD2 (0.49) HTR6DRD2ALDH1A1MEN1KMT2A
SCHEMBL4617179 0.91 HTT (0.45) HTR6DRD2CA2ADRA1AALDH1A1
SCHEMBL4617544 0.88 DRD2 (0.48) HTR6DRD2CA2ADRA1AALDH1A1
SCHEMBL4617526 0.86 DRD2 (0.43) HTR6DRD2ADRA1AMEN1KMT2A
SCHEMBL4617689 0.86 DRD2 (0.44) HTR6DRD2ADRA1A
SCHEMBL5321325 0.85 DRD2 (0.42) HTR6DRD2ADRA1AALDH1A1MEN1
SCHEMBL4616556 0.79 ACHE (0.42) DRD2ADRA1AALDH1A1MEN1KMT2A
SCHEMBL27698157 0.77 DRD2 (0.46) HTR6DRD2ALDH1A1MEN1KMT2A
SCHEMBL27679086 0.77 HTT (0.44) HTR6DRD2ALDH1A1MEN1KMT2A

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-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-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 HTR6 25/4885DRD2 156/4885CA2 3665/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 HTR6 25/4885DRD2 210/4885CA2 4448/4885

“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.