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SCHEMBL4618239

SCHEMBL4618239

Cc1ccc(N)cc1C1CCN(Cc2ccc([S+]([O-])c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ DRD4 P21917 6/20 0.40
▸ DRD2 P14416 6/20 0.40
▸ DRD3 P35462 5/20 0.40
▸ ACHE P22303 2/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ CXCR4 P61073 1/20 0.38
▸ CXCR3 P49682 2/20 0.37
▸ MCHR1 Q99705 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
SCHEMBL4616580 0.91 ALDH1A1 (0.38) MEN1KMT2ADRD4DRD2DRD3
SCHEMBL4615973 0.90 DRD2 (0.41) MEN1KMT2ADRD4DRD2DRD3
SCHEMBL4615328 0.90 DRD2 (0.46) MEN1KMT2ADRD4DRD2DRD3
SCHEMBL27698149 0.86 MEN1 (0.43) MEN1KMT2ADRD4DRD2DRD3
SCHEMBL4617179 0.85 HTT (0.45) MEN1KMT2ADRD4DRD2DRD3
SCHEMBL4616616 0.84 MEN1 (0.45) MEN1KMT2ADRD4DRD2DRD3
SCHEMBL4618120 0.79 DRD2 (0.65) DRD2ADRA1A
SCHEMBL4637017 0.78 DRD2 (0.49) DRD4DRD2DRD3ADRA1AATM
SCHEMBL27679092 0.78 OPRM1 (0.37) MEN1KMT2ADRD4DRD2DRD3
SCHEMBL4615731 0.77 DRD2 (0.49) DRD4DRD2DRD3ADRA1AALDH1A1

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 MEN1 438/4885KMT2A 429/4885DRD4 129/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 MEN1 1496/4885KMT2A 1897/4885DRD4 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.