SCHEMBL3411031

SCHEMBL3411031

CCOC(=O)OC1(c2ccc(Sc3ccccc3C)cc2)CCN(C(=O)OCC)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.43
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 2/20 0.40
FFAR1 O14842 1/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BRD4 O60885 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
OPRD1 P41143 2/20 0.38
PTPN11 Q06124 1/20 0.37
TSHR P16473 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 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
SCHEMBL6524499 0.83 ALDH1A1 (0.44) APPALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL1742452 0.75 BRD4 (0.50) ALDH1A1HPGDGAAFFAR1MAPT
SCHEMBL12789367 0.73 ALDH1A1 (0.44) APPALDH1A1HPGDGAAMAPT
SCHEMBL16494160 0.72 ALDH1A1 (0.34) APPALDH1A1FFAR1MAPTSMN1; SMN2
SCHEMBL1741730 0.72 L3MBTL1 (0.53) APPALDH1A1HPGDGAAMAPT
SCHEMBL8891778 0.72 L3MBTL1 (0.46) APPALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL11159629 0.71 APP (0.55) APPALDH1A1HPGDGAAMAPT
SCHEMBL27801562 0.69 L3MBTL1 (0.49) APPALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL12789453 0.67 TSHR (0.47) APPALDH1A1HPGDGAAMAPT
Hydrochloric Acid SCHEMBL29803980 0.67 DRD3 (0.56) ALDH1A1LMNAOPRD1OPRM1OPRK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260024-B1 PROCESS FOR THE MANUFACTURE OF [PHENYLSULFANYLPHENYL] PIPERIDINES LUNDBECK & CO AS H (DK) 2011-12-28 EP claimed
US-20110054178-A1 PROCESS FOR THE MANUFACTURE OF [PHENYLSULFANYLPHENYL]PIPERIDINES H. LUNDBECK A/S (DK) 2011-03-03 US claimed
EP-2260024-A1 PROCESS FOR THE MANUFACTURE OF [PHENYLSULFANYLPHENYL] PIPERIDINES H. Lundbeck A/S (DK) 2010-12-15 EP claimed
WO-2009109541-A1 PROCESS FOR THE MANUFACTURE OF [PHENYLSULFANYLPHENYL]PIPERIDINES H. LUNDBECK A/S (DK) 2009-09-11 WO claimed
US-8362255-B2 Process for the manufacture of [phenylsulfanylphenyl]piperidines H. LUNDBECK A/S (DK) 2013-01-29 US disclosed
EP-2260024-B1 PROCESS FOR THE MANUFACTURE OF [PHENYLSULFANYLPHENYL] PIPERIDINES LUNDBECK & CO AS H (DK) 2011-12-28 EP disclosed
US-20110054178-A1 PROCESS FOR THE MANUFACTURE OF [PHENYLSULFANYLPHENYL]PIPERIDINES H. LUNDBECK A/S (DK) 2011-03-03 US disclosed
EP-2260024-A1 PROCESS FOR THE MANUFACTURE OF [PHENYLSULFANYLPHENYL] PIPERIDINES H. Lundbeck A/S (DK) 2010-12-15 EP disclosed
WO-2009109541-A1 PROCESS FOR THE MANUFACTURE OF [PHENYLSULFANYLPHENYL]PIPERIDINES H. LUNDBECK A/S (DK) 2009-09-11 WO 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 (1 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-20110054178-A1 PROCESS FOR THE MANUFACTURE OF [PHENYLSULFANYLPHENYL]PIPERIDINES NPEPPS, UMPS, DHPS APP 1365/4885ALDH1A1 575/4885HPGD 699/4885

“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.