SCHEMBL7115367

SCHEMBL7115367

CN(C)CC(Cc1ccccc1)C(=O)c1cc(O)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 1/20 0.41
EGFR P00533 2/20 0.40
OPRD1 P41143 6/20 0.39
OPRK1 P41145 6/20 0.39
OPRM1 P35372 1/20 0.39
GUSB P08236 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
SCHEMBL7115369 1.00 NPC1 (0.43) NPC1MAPTMAPK1HTTRAB9A
Hydrochloric Acid SCHEMBL7161868 0.99 MAPT (0.46) NPC1MAPTMAPK1HTTRAB9A
Hydrochloric Acid SCHEMBL7161861 0.99 MAPT (0.46) NPC1MAPTMAPK1HTTRAB9A
SCHEMBL7119758 0.88 MEN1 (0.49) NPC1MAPTMAPK1HTTRAB9A
SCHEMBL7119753 0.88 MEN1 (0.49) NPC1MAPTMAPK1HTTRAB9A
Hydrochloric Acid SCHEMBL7168361 0.87 MEN1 (0.48) NPC1MAPTMAPK1HTTRAB9A
Hydrochloric Acid SCHEMBL7168357 0.87 MEN1 (0.48) NPC1MAPTMAPK1HTTRAB9A
SCHEMBL7128167 0.86 MAPT (0.48) NPC1MAPTMAPK1HTTRAB9A
SCHEMBL7128161 0.86 MAPT (0.48) NPC1MAPTMAPK1HTTRAB9A
Hydrochloric Acid SCHEMBL7166886 0.85 MAPT (0.50) NPC1MAPTMAPK1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653508-B2 Use treating various medical conditions, including pain GRUENENTHAL GMBH (DE) 2003-11-25 US claimed
JP-2003505358-A 2003-02-12 JP claimed
US-20020161262-A1 3-Amino-2-benzyl-1-phenylpropane derivatives GRUENTENTHAL GMBH (DE) 2002-10-31 US claimed
CN-1373745-A 3-amino-2-benzyl-1-phenyl-propane derivs. GREULENTHAL GMBH (DE) 2002-10-09 CN claimed
EP-1196373-A1 3-AMINO-2-BENZYL-1-PHENYL-PROPANE DERIVATIVES Grünenthal GmbH (DE) 2002-04-17 EP claimed
WO-2001005743-A1 3-AMINO-2-BENZYL-1-PHENYL-PROPANE DERIVATIVES Grünenthal GmbH (DE) 2001-01-25 WO claimed
US-6653508-B2 Use treating various medical conditions, including pain GRUENENTHAL GMBH (DE) 2003-11-25 US disclosed
US-20020161262-A1 3-Amino-2-benzyl-1-phenylpropane derivatives GRUENTENTHAL GMBH (DE) 2002-10-31 US disclosed
CN-1369011-A Attenuated human-bovine chimeric parainfluenza virus (PIV) vaccines US GOV HEALTH & HUMAN SERV (US) 2002-09-11 CN disclosed
EP-1196373-A1 3-AMINO-2-BENZYL-1-PHENYL-PROPANE DERIVATIVES Grünenthal GmbH (DE) 2002-04-17 EP disclosed
WO-2001005743-A1 3-AMINO-2-BENZYL-1-PHENYL-PROPANE DERIVATIVES Grünenthal GmbH (DE) 2001-01-25 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-20020161262-A1 3-Amino-2-benzyl-1-phenylpropane derivatives PYGL, CYP11B2, GOT2 NPC1 11/4885MAPT 1038/4885MAPK1 4019/4885

“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.