SCHEMBL4808903

SCHEMBL4808903

COC(=O)Nc1cnc(C)c(C2CCN(Cc3ccc([S+]([O-])c4ccc(Cl)cc4)cc3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.41
DRD2 P14416 2/20 0.41
ADRA1A P35348 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
KMT2A Q03164 2/20 0.39
CCR5 P51681 1/20 0.39
MCHR1 Q99705 2/20 0.39
OGA O60502 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR3C1 P04150 1/20 0.38
F10 P00742 1/20 0.38
BCHE P06276 1/20 0.38
SCN7A Q01118 1/20 0.38
SCN5A Q14524 1/20 0.38
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL4616552 0.89 CXCR3 (0.42) CXCR3DRD2ADRA1AEGLN1KMT2A
SCHEMBL4668662 0.88 CXCR3 (0.48) CXCR3KMT2AMCHR1OGAHTT
SCHEMBL4616629 0.88 CXCR3 (0.42) CXCR3DRD2ADRA1AEGLN1KMT2A
SCHEMBL5388497 0.79 DRD2 (0.45) DRD2ADRA1A
SCHEMBL4617565 0.77 CXCR3 (0.49) CXCR3KMT2AMCHR1OGAHTT
SCHEMBL4615331 0.76 CXCR3 (0.49) CXCR3KMT2AMCHR1OGAHTT
SCHEMBL4618120 0.76 DRD2 (0.65) DRD2ADRA1A
SCHEMBL4637017 0.75 DRD2 (0.49) DRD2ADRA1AMCHR1HTTSMN1; SMN2
SCHEMBL4615731 0.74 DRD2 (0.49) DRD2ADRA1AHTTSMN1; SMN2ATM
SCHEMBL4616000 0.74 DRD2 (0.49) CXCR3DRD2ADRA1AEGLN1KMT2A

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 3 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
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 CXCR3 2129/4885DRD2 156/4885ADRA1A 75/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 CXCR3 541/4885DRD2 210/4885ADRA1A 54/4885

“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.