Sugi Predict

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SCHEMBL4617544

SCHEMBL4617544

Cc1ccc(N)cc1C1CCN(Cc2ccc(S(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.48
▸ ADRA1A P35348 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.41
▸ SIGMAR1 Q99720 2/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ CA2 P00918 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ SCN7A Q01118 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 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
SCHEMBL4617526 0.92 DRD2 (0.43) DRD2ADRA1AHTTHTR6SCN7A
SCHEMBL4617179 0.90 HTT (0.45) DRD2ADRA1AALDH1A1HTTDRD3
SCHEMBL4617537 0.89 HTR6 (0.42) DRD2DRD3HTR6CA2
SCHEMBL4617689 0.88 DRD2 (0.44) DRD2ADRA1ASIGMAR1HTR6CHRM2
SCHEMBL4636515 0.88 DRD2 (0.49) DRD2ALDH1A1SIGMAR1HTTDRD3
SCHEMBL4615772 0.88 HTR6 (0.40) DRD2ADRA1AALDH1A1DRD3HTR6
SCHEMBL4615328 0.82 DRD2 (0.46) DRD2ADRA1AALDH1A1SIGMAR1HTT
SCHEMBL4618086 0.82 DRD2 (0.47) DRD2ADRA1AALDH1A1SIGMAR1HTT
SCHEMBL4850559 0.82 DRD2 (0.66) DRD2ADRA1AALDH1A1SIGMAR1HTT
SCHEMBL5321325 0.81 DRD2 (0.42) DRD2ADRA1AALDH1A1SIGMAR1HTT

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.