SCHEMBL4811463

SCHEMBL4811463

CCc1ccc(NC(=O)OC)cc1C1CCN(Cc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
ADRA1A P35348 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
FAAH O00519 1/20 0.42
LMNA P02545 1/20 0.41
SCN7A Q01118 1/20 0.41
SCN5A Q14524 1/20 0.41
MCHR1 Q99705 2/20 0.41
HTR2C P28335 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR5 P51681 1/20 0.40
KCNA5 P22460 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4617024 0.89 DRD2 (0.57) DRD2ADRA1ACA12CA1CA2
SCHEMBL4811543 0.89 LMNA (0.46) DRD2ADRA1ACA12CA1CA2
SCHEMBL4810317 0.85 DRD2 (0.52) DRD2ADRA1ALMNAMEN1KMT2A
SCHEMBL4616552 0.84 CXCR3 (0.42) DRD2ADRA1ACA12CA1CA2
SCHEMBL5394994 0.82 DRD2 (0.46) DRD2ADRA1ACA12CA1CA2
SCHEMBL4617548 0.80 DRD2 (0.61) DRD2ADRA1ASCN7ASCN5A
SCHEMBL4615593 0.80 DRD2 (0.66) DRD2ADRA1A
SCHEMBL4617195 0.79 DRD2 (0.49) DRD2ADRA1ACA12CA1CA2
SCHEMBL4617774 0.78 DRD2 (0.54) DRD2ADRA1ALMNAMEN1KMT2A
SCHEMBL4616768 0.78 DRD2 (0.50) DRD2ADRA1ACA12CA1CA2

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 75/4885CA12 4432/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 DRD2 210/4885ADRA1A 54/4885CA12 4662/4885

“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.