Sugi Predict

Sugi Predict / Compounds / SCHEMBL4617038

SCHEMBL4617038

SCHEMBL4617038

CC(=O)Nc1ccc(C)c(C2CCN(Cc3ccc(S(=O)(=O)c4ccccc4)cc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CCR5 P51681 2/20 0.48
▸ ACHE P22303 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ BCHE P06276 1/20 0.45
▸ FAAH O00519 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44

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
SCHEMBL4615167 0.90 DRD2 (0.64) DRD2ADRA1A
SCHEMBL4615593 0.82 DRD2 (0.66) DRD2ADRA1A
SCHEMBL4636515 0.82 DRD2 (0.49) DRD2ALDH1A1CCR5ACHESMN1; SMN2
SCHEMBL4810317 0.81 DRD2 (0.52) DRD2ADRA1AALDH1A1SMN1; SMN2BCHE
SCHEMBL4616768 0.81 DRD2 (0.50) DRD2ADRA1AACHESMN1; SMN2FAAH
SCHEMBL4617195 0.81 DRD2 (0.49) DRD2ADRA1AACHESMN1; SMN2FAAH
SCHEMBL4615097 0.80 DRD2 (0.56) DRD2ADRA1ASMN1; SMN2FAAH
SCHEMBL4615218 0.80 CA12 (0.52) DRD2ADRA1AKDM4EACHESMN1; SMN2
SCHEMBL4615215 0.80 HSP90AA1 (0.49) DRD2ADRA1AALDH1A1
SCHEMBL4617177 0.80 DRD2 (0.54) DRD2ADRA1AKDM4EALDH1A1CCR5

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 75/4885KDM4E 550/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 DRD2 210/4885ADRA1A 54/4885KDM4E 2306/4885

“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.