Sugi Predict

Sugi Predict / Compounds / SCHEMBL4616580

SCHEMBL4616580

SCHEMBL4616580

Cc1ccc(N)cc1C1CCN(Cc2ccc([S+]([O-])c3cccc(Cl)c3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ATM Q13315 2/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ DRD2 P14416 6/20 0.37
▸ DRD4 P21917 5/20 0.37
▸ DRD3 P35462 5/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ CXCR4 P61073 1/20 0.36
▸ TP53 P04637 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
SCHEMBL4618239 0.91 MEN1 (0.43) ALDH1A1MEN1KMT2AATMOPRM1
SCHEMBL4615973 0.87 DRD2 (0.41) ALDH1A1MEN1KMT2AATMDRD2
SCHEMBL27679092 0.87 OPRM1 (0.37) ALDH1A1MEN1KMT2AATMOPRM1
SCHEMBL4615328 0.87 DRD2 (0.46) ALDH1A1MEN1KMT2AATMDRD2
SCHEMBL4615192 0.80 POLB (0.42) ALDH1A1MEN1KMT2AATMOPRM1
SCHEMBL27698149 0.78 MEN1 (0.43) ALDH1A1MEN1KMT2AATMOPRM1
SCHEMBL4617179 0.76 HTT (0.45) ALDH1A1MEN1KMT2ADRD2DRD4
SCHEMBL4616616 0.76 MEN1 (0.45) ALDH1A1MEN1KMT2AATMOPRM1
SCHEMBL27698148 0.75 EGFR (0.37) MEN1KMT2AATMDRD2DRD4
SCHEMBL4636515 0.74 DRD2 (0.49) ALDH1A1MEN1KMT2AATMDRD2

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 ALDH1A1 404/4885MEN1 438/4885KMT2A 429/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 ALDH1A1 332/4885MEN1 1496/4885KMT2A 1897/4885

“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.