SCHEMBL7121022

SCHEMBL7121022

Cc1cccc(CC(CN(C)C)C(=O)c2cccc(O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ HSD17B1 P14061 4/20 0.43
▸ HSD17B2 P37059 4/20 0.43
▸ MAOB P27338 2/20 0.40
▸ ACHE P22303 1/20 0.39
▸ CTSB P07858 1/20 0.38
▸ FOLH1 Q04609 2/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ EGFR P00533 2/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TDP1 Q9NUW8 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
SCHEMBL7121027 1.00 NPC1 (0.45) NPC1MAPTMAPK1HTTRAB9A
Hydrochloric Acid SCHEMBL7166246 0.99 HTT (0.47) NPC1MAPTMAPK1HTTRAB9A
Hydrochloric Acid SCHEMBL7166249 0.99 HTT (0.47) NPC1MAPTMAPK1HTTRAB9A
SCHEMBL7114759 0.88 NPC1 (0.55) NPC1MAPTMAPK1HTTRAB9A
SCHEMBL7162983 0.88 NPC1 (0.55) NPC1MAPTMAPK1HTTRAB9A
SCHEMBL7125313 0.88 NPC1 (0.55) NPC1MAPTMAPK1HTTRAB9A
Hydrochloric Acid SCHEMBL7168611 0.87 MAPT (0.57) NPC1MAPTMAPK1HTTRAB9A
Hydrochloric Acid SCHEMBL7168766 0.87 MAPT (0.57) NPC1MAPTMAPK1HTTRAB9A
Hydrochloric Acid SCHEMBL7168606 0.87 MAPT (0.57) NPC1MAPTMAPK1HTTRAB9A
SCHEMBL7116844 0.86 NPC1 (0.44) 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.

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