SCHEMBL4617136

SCHEMBL4617136

COc1ccc(Sc2ccc(CN3CCC(c4cc(N)ccc4C)CC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.56
ACHE P22303 1/20 0.47
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
DRD2 P14416 2/20 0.42
ATM Q13315 1/20 0.42
ADRA1A P35348 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
DRD4 P21917 1/20 0.40
MCHR1 Q99705 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GAA P10253 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
SCHEMBL4616556 0.89 ACHE (0.42) PTGIRACHEMEN1KMT2APOLB
SCHEMBL4616616 0.88 MEN1 (0.45) PTGIRACHEMEN1KMT2ADRD2
SCHEMBL4615265 0.88 MEN1 (0.44) ACHEMEN1KMT2ASIGMAR1DRD2
SCHEMBL4618086 0.84 DRD2 (0.47) PTGIRACHEMEN1KMT2ASIGMAR1
SCHEMBL4615192 0.83 POLB (0.42) ACHEMEN1KMT2APOLBSIGMAR1
SCHEMBL4616723 0.80 PLK4 (0.39) ACHEMEN1KMT2ASIGMAR1DRD2
SCHEMBL4617135 0.79 DRD2 (0.69) DRD2ADRA1A
SCHEMBL4615106 0.79 DRD2 (0.53) PTGIRACHEKMT2APOLBSIGMAR1
SCHEMBL4850559 0.78 DRD2 (0.66) MEN1KMT2ASIGMAR1DRD2ADRA1A
SCHEMBL4617356 0.77 DRD2 (0.51) PTGIRMEN1KMT2ADRD2ADRA1A

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 8 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
CN-101048161-A Arylthiobenzylpiperidine Derivatives LUNDBECK & CO AS H (DK) 2007-10-03 CN 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 PTGIR 2157/4885ACHE 2866/4885MEN1 438/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 PTGIR 2358/4885ACHE 2682/4885MEN1 1496/4885
US-20060079683-A1 Arylthiobenzylpiperidine derivatives MCHR1, MC4R, MCHR2 PTGIR 2452/4885ACHE 2608/4885MEN1 1507/4885

“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.