Sugi Predict

Sugi Predict / Compounds / SCHEMBL4615973

SCHEMBL4615973

SCHEMBL4615973

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ SOS1 Q07889 4/20 0.38
▸ AXL P30530 3/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PDE2A O00408 1/20 0.36
▸ CLPP Q16740 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ DRD4 P21917 2/20 0.34
▸ DRD3 P35462 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
SCHEMBL4615328 0.92 DRD2 (0.46) DRD2ADRA1AMEN1KMT2AATM
SCHEMBL4618239 0.90 MEN1 (0.43) DRD2ADRA1AMEN1KMT2AATM
SCHEMBL27698148 0.88 EGFR (0.37) DRD2AXLMEN1KMT2AATM
SCHEMBL4616580 0.87 ALDH1A1 (0.38) DRD2ADRA1AMEN1KMT2AATM
SCHEMBL4617526 0.83 DRD2 (0.43) DRD2ADRA1ASOS1AXLMEN1
SCHEMBL27698149 0.77 MEN1 (0.43) DRD2MEN1KMT2AATMALDH1A1
SCHEMBL4617544 0.77 DRD2 (0.48) DRD2ADRA1AALDH1A1DRD3
SCHEMBL4850559 0.76 DRD2 (0.66) DRD2ADRA1AMEN1KMT2AALDH1A1
SCHEMBL4618086 0.76 DRD2 (0.47) DRD2ADRA1AMEN1KMT2AATM
SCHEMBL4617179 0.76 HTT (0.45) DRD2ADRA1AMEN1KMT2AALDH1A1

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 75/4885SOS1 3920/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 DRD2 210/4885ADRA1A 54/4885SOS1 3514/4885

“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.