SCHEMBL3028839

SCHEMBL3028839

Cc1c(C)c(NC(=O)OCc2ccccc2)c(C)c(Cl)c1O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
P2RX7 Q99572 1/20 0.49
MAOA P21397 1/20 0.47
POLB P06746 1/20 0.47
KAT2B Q92831 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
MGLL Q99685 1/20 0.45
BACE1 P56817 1/20 0.44

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
SCHEMBL28562156 0.95 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AP2RX7MAOA
SCHEMBL5213739 0.90 NPC1 (0.60) SMN1; SMN2NPC1RAB9AP2RX7MAOA
SCHEMBL5212424 0.88 NPC1 (0.57) SMN1; SMN2NPC1RAB9AP2RX7MAOA
SCHEMBL5220382 0.86 NPC1 (0.58) SMN1; SMN2NPC1RAB9AP2RX7MAOA
SCHEMBL3041697 0.86 ALDH1A1 (0.49) SMN1; SMN2RAB9APOLBALDH1A1CYP1A2
SCHEMBL28562202 0.85 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AP2RX7MAOA
SCHEMBL3028859 0.83 HTT (0.43) SMN1; SMN2RAB9APOLBALDH1A1CYP1A2
SCHEMBL3041603 0.77 NPC1 (0.58) SMN1; SMN2NPC1RAB9AMAOAPOLB
SCHEMBL28564954 0.76 NPC1 (0.64) SMN1; SMN2NPC1RAB9AMAOAPOLB
SCHEMBL26960329 0.76 NPC1 (0.60) SMN1; SMN2NPC1RAB9AP2RX7MAOA

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 22 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-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-1138678-B1 Process for making N-((4-phenyl) methylphenyl) piperazines DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-12-22 EP 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
EP-1228367-A2 AMINOPHENOXYACETAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEREOF SUNTORY LIMITED (JP) 2002-08-07 EP 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
WO-2001079170-A2 AMINOPHENOXYACETAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEREOF SUNTORY LIMITED (JP) 2001-10-25 WO disclosed
EP-1138678-A2 Process for making N-((4-phenyl) methylphenyl) piperazines SUNTORY LIMITED (JP) 2001-10-04 EP disclosed
EP-1045693-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-10-25 EP disclosed
WO-2000023076-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-04-27 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 (5 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 SMN1; SMN2 1999/4885NPC1 216/4885RAB9A 3451/4885
US-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof CAMK2A, CAMK2B, SLC1A2 SMN1; SMN2 3233/4885NPC1 4389/4885RAB9A 2079/4885
US-20050101610-A1 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, NR3C2 SMN1; SMN2 2796/4885NPC1 427/4885RAB9A 4212/4885
US-20030139447-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof SCN10A, CAMK2A, CAMK2B SMN1; SMN2 1127/4885NPC1 3518/4885RAB9A 3105/4885
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof NR0B1, NR0B2, NR4A1 SMN1; SMN2 1865/4885NPC1 2348/4885RAB9A 4060/4885

“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.