SCHEMBL4615785

SCHEMBL4615785

CNCC(=O)Nc1ccc(C)c(C2CCN(Cc3ccc(Sc4ccc(F)c(F)c4)cc3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.58
ADRA1A P35348 3/20 0.58
SIGMAR1 Q99720 5/20 0.43
DRD4 P21917 4/20 0.43
TMEM97 Q5BJF2 3/20 0.43
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
DRD3 P35462 2/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4617776 0.91 DRD2 (0.51) DRD2ADRA1ADRD4KMT2ADRD3
SCHEMBL4615106 0.87 DRD2 (0.53) DRD2ADRA1ASIGMAR1DRD4POLB
SCHEMBL4616739 0.85 DRD2 (0.46) DRD2ADRA1ADRD4DRD3MAPT
SCHEMBL4808233 0.85 DRD2 (0.57) DRD2ADRA1ASIGMAR1DRD4TMEM97
SCHEMBL4808236 0.85 DRD2 (0.57) DRD2ADRA1ASIGMAR1DRD4TMEM97
SCHEMBL4618065 0.83 DRD2 (0.50) DRD2ADRA1ADRD4DRD3MAPT
SCHEMBL4616604 0.83 DRD2 (0.45) DRD2ADRA1ASIGMAR1DRD4KMT2A
SCHEMBL4636194 0.83 DRD2 (0.43) DRD2ADRA1ADRD4KMT2AMEN1
SCHEMBL4854957 0.82 DRD2 (0.64) DRD2ADRA1ASIGMAR1DRD4TMEM97
Hydrochloric Acid SCHEMBL4855743 0.82 DRD2 (0.63) DRD2ADRA1ASIGMAR1DRD4TMEM97

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 75/4885SIGMAR1 85/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 DRD2 210/4885ADRA1A 54/4885SIGMAR1 69/4885
US-20060079683-A1 Arylthiobenzylpiperidine derivatives MCHR1, MC4R, MCHR2 DRD2 217/4885ADRA1A 50/4885SIGMAR1 64/4885

“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.