SCHEMBL3043129

SCHEMBL3043129

Cc1c(NC(=O)OC(C)(C)C)ccc(OC[C@@H]2CO2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GLA P06280 2/20 0.42
MAPT P10636 5/20 0.37
TSHR P16473 4/20 0.37
HPGD P15428 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
AAK1 Q2M2I8 1/20 0.36
ELANE P08246 1/20 0.36
CTRB1 P17538 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL13513546 1.00 VDR (0.42) VDRALDH1A1GLAMAPTTSHR
SCHEMBL13513561 0.83 VDR (0.35) VDRALDH1A1GLAMAPTTSHR
SCHEMBL3034969 0.83 VDR (0.35) VDRALDH1A1GLAMAPTTSHR
SCHEMBL13513559 0.82 VDR (0.43) VDRALDH1A1GLAMAPTTSHR
SCHEMBL3038371 0.82 VDR (0.43) VDRALDH1A1GLAMAPTTSHR
SCHEMBL13513557 0.81 VDR (0.40) VDRALDH1A1GLAMAPTTSHR
SCHEMBL6135907 0.81 VDR (0.40) VDRALDH1A1GLAMAPTTSHR
SCHEMBL3047823 0.81 VDR (0.40) VDRALDH1A1GLAMAPTTSHR
SCHEMBL3032297 0.79 LCK (0.40) VDRALDH1A1MAPTTSHRMEN1
SCHEMBL13513574 0.79 LCK (0.40) VDRALDH1A1MAPTTSHRMEN1

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
US-7642262-B2 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2010-01-05 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 VDR 110/4885ALDH1A1 837/4885GLA 2090/4885
US-20050101610-A1 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, NR3C2 VDR 26/4885ALDH1A1 2254/4885GLA 3053/4885

“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.