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SCHEMBL4615328

SCHEMBL4615328

Cc1ccc(N)cc1C1CCN(Cc2ccc([S+]([O-])c3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.46
▸ ADRA1A P35348 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.39
▸ DRD3 P35462 3/20 0.38
▸ SIGMAR1 Q99720 5/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ DRD4 P21917 4/20 0.35
▸ TMEM97 Q5BJF2 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL4615973 0.92 DRD2 (0.41) DRD2ADRA1AALDH1A1DRD3DRD4
SCHEMBL4618239 0.90 MEN1 (0.43) DRD2ADRA1AALDH1A1DRD3DRD4
SCHEMBL4616580 0.87 ALDH1A1 (0.38) DRD2ADRA1AALDH1A1DRD3SIGMAR1
SCHEMBL4617544 0.82 DRD2 (0.48) DRD2ADRA1AALDH1A1DRD3SIGMAR1
SCHEMBL4850559 0.82 DRD2 (0.66) DRD2ADRA1AALDH1A1SIGMAR1HTT
SCHEMBL4618086 0.82 DRD2 (0.47) DRD2ADRA1AALDH1A1DRD3SIGMAR1
SCHEMBL27698148 0.80 EGFR (0.37) DRD2DRD3JAK2JAK1TYK2
SCHEMBL4852804 0.77 DRD2 (0.53) DRD2ADRA1AALDH1A1MEN1KMT2A
SCHEMBL4617526 0.77 DRD2 (0.43) DRD2ADRA1AHTTLMNAMEN1
SCHEMBL27698149 0.76 MEN1 (0.43) DRD2ALDH1A1DRD3SIGMAR1DRD4

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 DRD2 156/4885ADRA1A 75/4885ALDH1A1 404/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 DRD2 210/4885ADRA1A 54/4885ALDH1A1 332/4885

“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.