SCHEMBL4810317

SCHEMBL4810317

COC(=O)Nc1ccc(C)c(C2CCN(Cc3ccc(S(=O)(=O)c4cc(Cl)cc(Cl)c4)cc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.52
ADRA1A P35348 1/20 0.52
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNH2 Q12809 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
ENPP2 Q13822 2/20 0.39
ALDH1A1 P00352 1/20 0.39
BCHE P06276 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
SCHEMBL5394994 0.87 DRD2 (0.46) DRD2ADRA1AMAPTMAPK1KMT2A
SCHEMBL4811463 0.85 DRD2 (0.47) DRD2ADRA1AMAPTHTTKMT2A
SCHEMBL5319797 0.84 DRD2 (0.49) DRD2ADRA1ATP53MAPK1KMT2A
SCHEMBL4615593 0.83 DRD2 (0.66) DRD2ADRA1A
SCHEMBL4617774 0.83 DRD2 (0.54) DRD2ADRA1AMAPTHTTTP53
SCHEMBL4811543 0.82 LMNA (0.46) DRD2ADRA1AKMT2AKCNH2LMNA
SCHEMBL4616768 0.82 DRD2 (0.50) DRD2ADRA1AMAPTHTTTP53
SCHEMBL4617038 0.81 DRD2 (0.51) DRD2ADRA1AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4616552 0.81 CXCR3 (0.42) DRD2ADRA1AKMT2AMEN1
SCHEMBL4617195 0.81 DRD2 (0.49) DRD2ADRA1AMAPTHTTTP53

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 DRD2 156/4885ADRA1A 75/4885MAPT 1997/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 DRD2 210/4885ADRA1A 54/4885MAPT 1985/4885

“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.