SCHEMBL2075495

SCHEMBL2075495

CN(C)c1ccc(CCOS(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CALM1 P0DP23 2/20 0.45
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA9 Q16790 5/20 0.43
CA12 O43570 2/20 0.43
CA4 P22748 1/20 0.43
CNR2 P34972 1/20 0.40
CA7 P43166 1/20 0.40
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 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
SCHEMBL10973048 0.90 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL3258334 0.87 CA2 (0.50) ALDH1A1TSHRCA1CA2CA9
SCHEMBL7996874 0.81 CA1 (0.38) ALDH1A1TSHRCA1CA2CA9
SCHEMBL6802392 0.80 KMT2A (0.41) ALDH1A1TSHRCA1CA2CA9
SCHEMBL13527822 0.79 CA2 (0.50) ALDH1A1TSHRCA1CA2CA9
SCHEMBL6991225 0.79 CA1 (0.48) ALDH1A1TSHRTDP1CA1CA2
SCHEMBL17891745 0.79 CA2 (0.44) ALDH1A1TSHRCA1CA2CA9
SCHEMBL23536618 0.79 LMNA (0.49) ALDH1A1TSHRCA1CA2CA9
SCHEMBL1449568 0.79 APLNR (0.41) CA1CA2CA9LMNAMMP9
SCHEMBL1284072 0.78 CA1 (0.43) ALDH1A1TSHRCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833824-B1 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS ABBVIE INC (US) 2016-08-03 EP disclosed
US-20110065685-A1 NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-03-17 US disclosed
US-7750039-B2 Indoles are cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2010-07-06 US disclosed
US-7560481-B2 {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone toluenesufonic acid salt; selectively target cannaboid B2 receptors; analgesics for both nociceptive and neuropathic pain; side effect reduction; immunology modulators; antiinflammatory agents; neuroprotectants ABBOTT LABORATORIES (US) 2009-07-14 US disclosed
US-20090149501-A1 NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-06-11 US disclosed
US-7320973-B2 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2008-01-22 US disclosed
EP-1833824-A1 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2007-09-19 EP disclosed
US-20070037801-A1 {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone toluenesufonic acid salt; selectively target cannaboid B2 receptors; analgesics for both nociceptive and neuropathic pain; side effect reduction; immunology modulators; antiinflammatory agents; neuroprotectants ABBVIE INC. 2007-02-15 US disclosed
WO-2006069196-A1 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2006-06-29 WO disclosed
US-20050032787-A1 Pheny (alkyl)carboxylic acid derivatives and dionic phenylalkylheterocyclic derivatives and their use as medicines with serum glucose and/or serum lipid lowering activity SIGMA-TAU INDUSTRIES FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-02-10 US disclosed
EP-1475373-A1 5,11-Dihydrodibenzo[b,e][1,4]-oxazepine derivatives as calcium channel antagonists Ajinomoto Co., Inc. (JP) 2004-11-10 EP disclosed
EP-1471060-A1 5,11-Dihydrodibenzo[b,e][1,4]-oxazepine derivatives as calcium channel antagonists Ajinomoto Co., Inc. (JP) 2004-10-27 EP disclosed
EP-1465858-A2 PHENY(ALKYL)CARBOXYLIC ACID DERIVATIVES AND DIONIC PHENYLALKYLHETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDICINES WITH SERUM GLUCOSE AND/OR SERUM LIPID LOWERING ACTIVITY Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-10-13 EP disclosed
US-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2004-06-10 US disclosed
EP-1403258-A1 DIHYDRODIARYLOXAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE DERIVATIVE Ajinomoto Co., Inc. (JP) 2004-03-31 EP disclosed
WO-2003059864-A2 PHENY(ALKYL)CARBOXYLIC ACID DERIVATIVES AND DIONIC PHENYLALKYLHETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDICINES WITH SERUM GLUCOSE AND/OR SERUM LIPID LOWERING ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-07-24 WO disclosed
US-6528504-B2 Compounds such as (R)-5,11-dihydro-5-(1-(4-methoxyphenethyl)-piperidine-2-ylmethyl) -dibenzo(b,e)(1,4) oxazepine are useful for treating or preventing abnormal motor functions of gastrointestinal tracts, e.g., irritable bowel syndrome. AJINOMOTO CO., INC. (JP) 2003-03-04 US disclosed
US-20020099047-A1 Oxazepine derivatives and medicine containing the same AJINOMOTO CO., INC. (JP) 2002-07-25 US disclosed
EP-1142884-A1 OXAZEPINE DERIVATIVES AND DRUGS CONTAINING THE SAME Ajinomoto Co., Inc. (JP) 2001-10-10 EP disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 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-20090149501-A1 NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS CNR2, CNR1, OPRL1 ALDH1A1 1568/4885TSHR 1295/4885CYP3A4 1163/4885
US-20070037801-A1 {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone toluenesufonic acid salt; selectively target cannaboid B2 receptors; analgesics for both nociceptive and neuropathic pain; side effect reduction; immunology modulators; antiinflammatory agents; neuroprotectants CNR2, CNR1, TRPV1 ALDH1A1 1901/4885TSHR 2484/4885CYP3A4 2615/4885
US-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same CYP3A4, PPARD, CYP4B1 ALDH1A1 276/4885TSHR 3437/4885CYP3A4 1/4885
US-20020099047-A1 Oxazepine derivatives and medicine containing the same CACNG5, GRIK5, KCNB1 ALDH1A1 695/4885TSHR 3929/4885CYP3A4 195/4885
US-20050032787-A1 Pheny (alkyl)carboxylic acid derivatives and dionic phenylalkylheterocyclic derivatives and their use as medicines with serum glucose and/or serum lipid lowering activity LIPC, CPT1A, GPR119 ALDH1A1 1194/4885TSHR 2682/4885CYP3A4 688/4885
US-20110065685-A1 NOVEL INDOLES ARE CANNABINOID RECEPTOR LIGANDS CNR2, CNR1, OPRL1 ALDH1A1 1568/4885TSHR 1295/4885CYP3A4 1163/4885

“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.