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SCHEMBL4615185

SCHEMBL4615185

COC(=O)Nc1ccc(F)c(C2CCN(Cc3ccc(Sc4ccc(Cl)cc4)nc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.45
▸ ADRA1A P35348 2/20 0.45
▸ CXCR3 P49682 2/20 0.43
▸ SCN7A Q01118 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ CCR5 P51681 2/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.38

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
SCHEMBL4807399 0.93 DRD2 (0.43) DRD2ADRA1ACXCR3SCN7ASCN5A
SCHEMBL4616000 0.92 DRD2 (0.49) DRD2ADRA1ACXCR3HTR2CMCHR1
SCHEMBL4617774 0.83 DRD2 (0.54) DRD2ADRA1AKMT2AMEN1TP53
SCHEMBL4616629 0.82 CXCR3 (0.42) DRD2ADRA1ACXCR3MCHR1KMT2A
SCHEMBL4616104 0.81 DRD2 (0.60) DRD2ADRA1A
SCHEMBL4616739 0.81 DRD2 (0.46) DRD2ADRA1ACXCR3HTR2CMCHR1
SCHEMBL5320292 0.79 DRD2 (0.44) DRD2ADRA1ACXCR3HTR2CKMT2A
SCHEMBL4809354 0.78 DRD2 (0.51) DRD2ADRA1AKMT2AMEN1ACKR3
SCHEMBL5322376 0.75 DRD2 (0.46) DRD2ADRA1AKMT2AMEN1MAPT
SCHEMBL4636194 0.75 DRD2 (0.43) DRD2ADRA1AHTR2CMCHR1KMT2A

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 6 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-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 75/4885CXCR3 2129/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 DRD2 210/4885ADRA1A 54/4885CXCR3 541/4885

“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.