SCHEMBL3029059

SCHEMBL3029059

Cc1cc(NC(=O)OCc2ccccc2)c(C)c(C)c1O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
MAOB P27338 1/20 0.49
MGLL Q99685 2/20 0.49
MAOA P21397 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
FAAH O00519 1/20 0.46
PLAU P00749 1/20 0.46
PTPN1 P18031 1/20 0.46
CASP3 P42574 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
OPRK1 P41145 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL3038596 0.86 ALDH1A1 (0.50) NPC1RAB9APOLBL3MBTL1MAPT
SCHEMBL3039421 0.84 NPC1 (0.66) NPC1RAB9AMAOBMGLLMAOA
SCHEMBL3038440 0.83 POLB (0.47) NPC1RAB9APOLBSMN1; SMN2L3MBTL1
SCHEMBL3028818 0.82 NPC1 (0.68) NPC1RAB9AMAOBMGLLMAOA
SCHEMBL27485037 0.81 NPC1 (0.66) NPC1RAB9AMAOBMGLLMAOA
SCHEMBL3045704 0.81 NPC1 (0.65) NPC1RAB9AMAOBMGLLMAOA
SCHEMBL5213739 0.80 NPC1 (0.60) NPC1RAB9AMGLLMAOAPOLB
SCHEMBL6067806 0.80 NPC1 (0.64) NPC1RAB9AMAOBMGLLMAOA
SCHEMBL5853278 0.80 NPC1 (1.00) NPC1RAB9AMAOBMGLLPOLB
SCHEMBL4218396 0.80 NPC1 (0.68) NPC1RAB9AMAOBMGLLMAOA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642262-B2 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2010-01-05 US disclosed
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 US disclosed
EP-1228367-B1 AMINOPHENOXYACETAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEREOF ASUBIO PHARMA CO LTD (JP) 2007-09-26 EP disclosed
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof DAIICHI ASUBIO PHARMA CO., LTD. 2006-08-10 US disclosed
US-7067533-B2 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2006-06-27 US disclosed
US-6998401-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof SUNTORY LIMITED (JP) 2006-02-14 US disclosed
US-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-11-03 US disclosed
US-20050101610-A1 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-05-12 US disclosed
EP-0958280-B1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
US-6838470-B2 Arylpiperidinopropanol and arylpiprazinopropanol derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-04 US disclosed
EP-1045693-B1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-06-30 EP disclosed
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2004-04-01 US disclosed
US-20030236269-A1 Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2003-12-25 US disclosed
US-20030139447-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2003-07-24 US disclosed
US-6559146-B1 Neuroprotective effects by inducing calbindin D28Kd, one of Ca2+-binding proteins SUNTORY LIMITED (JP) 2003-05-06 US disclosed
US-6525199-B1 Ring coupling, reduction and deprotecting; synthesis of compounds for alleviation and treatment of symptoms due to ischemic diseases SUNTORY LIMITED (JP) 2003-02-25 US disclosed
US-6407099-B1 SUPPRESSING CYTOTOXIC CALCIUM OVERLOAD AND LIPID PEROXIDATION; ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIEDEMIC AGENTS; BRAIN, NERVOUS SYSTEM, AND CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 2002-06-18 US disclosed
EP-1138678-A2 Process for making N-((4-phenyl) methylphenyl) piperazines SUNTORY LIMITED (JP) 2001-10-04 EP disclosed
EP-0958280-A1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME SUNTORY LIMITED (JP) 1999-11-24 EP disclosed
WO-1999023072-A1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME SUNTORY LIMITED (JP) 1999-05-14 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 (6 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-20030236269-A1 Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, APOL1 NPC1 216/4885RAB9A 3451/4885MAOB 644/4885
US-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof CAMK2A, CAMK2B, SLC1A2 NPC1 4389/4885RAB9A 2079/4885MAOB 928/4885
US-20050101610-A1 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, NR3C2 NPC1 427/4885RAB9A 4212/4885MAOB 1497/4885
US-20030139447-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof SCN10A, CAMK2A, CAMK2B NPC1 3518/4885RAB9A 3105/4885MAOB 2011/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A NPC1 4270/4885RAB9A 1698/4885MAOB 846/4885
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof NR0B1, NR0B2, NR4A1 NPC1 2348/4885RAB9A 4060/4885MAOB 257/4885

“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.