Sugi Predict

Sugi Predict / Compounds / SCHEMBL4615165

SCHEMBL4615165

SCHEMBL4615165

COc1ccc(Sc2ccc(CN3CCC(c4cc(N(C=O)[C@H]5CCCCN5)ccc4C)CC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.45
▸ ACHE P22303 3/20 0.40
▸ DRD2 P14416 4/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ DRD4 P21917 2/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34

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
SCHEMBL4636152 0.91 ACHE (0.36) PTGIRACHEDRD2ADRA1ADRD4
SCHEMBL4616753 0.88 DRD2 (0.40) PTGIRDRD2ADRA1AHTTSIGMAR1
SCHEMBL4616735 0.85 DRD2 (0.33) ACHEDRD2ADRA1ASIGMAR1DRD4
Hydrochloric Acid SCHEMBL4847788 0.80 DRD2 (0.45) DRD2ADRA1AMEN1KMT2A
Hydrochloric Acid SCHEMBL4853095 0.80 DRD2 (0.45) DRD2ADRA1AMEN1KMT2A
SCHEMBL4617136 0.75 PTGIR (0.56) PTGIRACHEDRD2ADRA1APOLB
SCHEMBL4616106 0.73 CXCR4 (0.37) PTGIRACHEDRD2ADRA1ADRD4
SCHEMBL4617031 0.73 MEN1 (0.38) ACHEDRD2ADRA1ADRD4DRD3
SCHEMBL4617355 0.72 HSP90AA1 (0.52) PTGIRACHEDRD2ADRA1APOLB
SCHEMBL4617135 0.70 DRD2 (0.69) DRD2ADRA1A

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
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 2866/4885DRD2 156/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 PTGIR 2358/4885ACHE 2682/4885DRD2 210/4885
US-20060079683-A1 Arylthiobenzylpiperidine derivatives MCHR1, MC4R, MCHR2 PTGIR 2452/4885ACHE 2608/4885DRD2 217/4885

“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.