SCHEMBL4615443

SCHEMBL4615443

COc1ccc(Sc2ccc(CN3CCC(c4cc(NC(=O)OCc5ccccc5)ccc4C)CC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
ADRA1A P35348 1/20 0.50
TGM2 P21980 1/20 0.49
LMNA P02545 3/20 0.47
SIGMAR1 Q99720 2/20 0.47
KMT2A Q03164 2/20 0.46
ACHE P22303 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
BCHE P06276 2/20 0.44
BACE1 P56817 1/20 0.44
MAOB P27338 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
FAAH O00519 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PTGIR P43119 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL4617135 0.84 DRD2 (0.69) DRD2ADRA1A
SCHEMBL4615106 0.83 DRD2 (0.53) DRD2ADRA1ASIGMAR1KMT2AACHE
SCHEMBL4852736 0.83 DRD2 (0.60) DRD2ADRA1ATGM2LMNAACHE
SCHEMBL4617774 0.82 DRD2 (0.54) DRD2ADRA1ALMNAKMT2ASMN1; SMN2
SCHEMBL4617356 0.82 DRD2 (0.51) DRD2ADRA1AKMT2ASMN1; SMN2FAAH
SCHEMBL4617355 0.82 HSP90AA1 (0.52) DRD2ADRA1ALMNAACHESMN1; SMN2
SCHEMBL4615083 0.80 DRD2 (0.65) DRD2ADRA1A
SCHEMBL4615788 0.79 BTK (0.50) TGM2SMN1; SMN2MAOBALDH1A1
SCHEMBL4617015 0.78 DRD2 (0.48) DRD2ADRA1ASIGMAR1KMT2AACHE
SCHEMBL4617018 0.78 DRD2 (0.48) DRD2ADRA1ASIGMAR1ALDH1A1PTGIR

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 7 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-20060079683-A1 Arylthiobenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2006-04-13 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 (3 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 75/4885TGM2 4695/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 DRD2 210/4885ADRA1A 54/4885TGM2 4744/4885
US-20060079683-A1 Arylthiobenzylpiperidine derivatives MCHR1, MC4R, MCHR2 DRD2 217/4885ADRA1A 50/4885TGM2 4737/4885

“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.