SCHEMBL4615192

SCHEMBL4615192

Cc1ccc(N)cc1C1CCN(Cc2ccc(Sc3cccc(Cl)c3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ATM Q13315 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 3/20 0.38
DRD4 P21917 2/20 0.38
HTR1A P08908 1/20 0.38
ACHE P22303 1/20 0.38
CXCR4 P61073 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL4616616 0.91 MEN1 (0.45) MEN1KMT2AATMOPRM1OPRK1
SCHEMBL4615265 0.91 MEN1 (0.44) MEN1KMT2AATMOPRM1OPRK1
SCHEMBL4616556 0.87 ACHE (0.42) POLBMEN1KMT2AATMMAPT
SCHEMBL4618086 0.87 DRD2 (0.47) MEN1KMT2AATMHTTALDH1A1
SCHEMBL4617136 0.83 PTGIR (0.56) POLBMEN1KMT2AATMGAA
SCHEMBL4616723 0.80 PLK4 (0.39) MEN1KMT2AATMOPRM1OPRK1
SCHEMBL4616580 0.80 ALDH1A1 (0.38) MEN1KMT2AATMOPRM1OPRK1
SCHEMBL4617179 0.76 HTT (0.45) POLBMEN1KMT2AHTTALDH1A1
SCHEMBL4618239 0.76 MEN1 (0.43) MEN1KMT2AATMOPRM1OPRK1
SCHEMBL27679100 0.75 LMNA (0.49) POLBDRD2DRD4DRD3

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
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-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 POLB 4577/4885MEN1 438/4885KMT2A 429/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 POLB 4242/4885MEN1 1496/4885KMT2A 1897/4885

“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.