SCHEMBL4807399

SCHEMBL4807399

COC(=O)Nc1ccc(F)c(C2CCN(Cc3ccc(Sc4ccncc4)nc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.43
ADRA1A P35348 2/20 0.43
CCR5 P51681 6/20 0.40
F10 P00742 1/20 0.40
SCN7A Q01118 1/20 0.38
SCN5A Q14524 1/20 0.38
GALR3 O60755 1/20 0.37
RAB9A P51151 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
OGA O60502 1/20 0.36

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
SCHEMBL4615185 0.93 DRD2 (0.45) DRD2ADRA1ACCR5SCN7ASCN5A
SCHEMBL4616000 0.85 DRD2 (0.49) DRD2ADRA1ACCR5MEN1KMT2A
SCHEMBL4616612 0.81 DRD2 (0.56) DRD2ADRA1A
SCHEMBL5320292 0.76 DRD2 (0.44) DRD2ADRA1AMEN1KMT2ACXCR3
SCHEMBL4617774 0.75 DRD2 (0.54) DRD2ADRA1AMEN1KMT2AHTT
SCHEMBL4616629 0.75 CXCR3 (0.42) DRD2ADRA1ACCR5F10KMT2A
SCHEMBL4616104 0.74 DRD2 (0.60) DRD2ADRA1A
SCHEMBL4809354 0.74 DRD2 (0.51) DRD2ADRA1AF10RAB9AMEN1
SCHEMBL4616739 0.74 DRD2 (0.46) DRD2ADRA1AHTTSMN1; SMN2CXCR3
SCHEMBL4636194 0.73 DRD2 (0.43) DRD2ADRA1ACCR5MEN1KMT2A

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 75/4885CCR5 777/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 DRD2 210/4885ADRA1A 54/4885CCR5 120/4885

“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.