SCHEMBL1817879

SCHEMBL1817879

O=C(O)c1cccc2c1CNC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 1/20 0.43
TRPA1 O75762 1/20 0.43
HSP90AA1 P07900 1/20 0.41
PRCP P42785 1/20 0.39
TSHR P16473 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
GFER P55789 1/20 0.38
CD44 P16070 1/20 0.38
PNMT P11086 1/20 0.38
KEAP1 Q14145 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
AURKA O14965 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HMGB1 P09429 1/20 0.38

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
SCHEMBL29662964 1.00 ALDH1A1 (0.43) ALDH1A1ALOX15TRPA1HSP90AA1PRCP
SCHEMBL29801575 0.85 PNMT (0.56) PRCPCD44PNMT
SCHEMBL5087669 0.85 PNMT (0.56) PRCPCD44PNMT
SCHEMBL30744757 0.84 CD44 (0.54) ALDH1A1ALOX15TRPA1PRCPTSHR
Hydrochloric Acid SCHEMBL17822916 0.84 PNMT (0.54) PRCPCD44PNMT
SCHEMBL2329950 0.84 CD44 (0.54) ALDH1A1ALOX15TRPA1PRCPTSHR
SCHEMBL2630741 0.83 AURKA (0.51) ALDH1A1ALOX15TRPA1TSHRCD44
SCHEMBL29945392 0.83 AURKA (0.51) ALDH1A1ALOX15TRPA1TSHRCD44
Hydrochloric Acid SCHEMBL30040239 0.81 AURKA (0.50) ALDH1A1ALOX15TRPA1TSHRCD44
SCHEMBL1871232 0.80 CD44 (0.35) TRPA1CD44PNMTAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-05-26 US claimed
US-7053122-B2 Therapeutic use of aryl amino acid derivatives PFIZER INC (US) 2006-05-30 US claimed
EP-1658059-A1 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS Pfizer Products Inc. (US) 2006-05-24 EP claimed
EP-1658058-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP claimed
EP-1658098-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA2DELTA LIGAND AND AN OPIOID RECEPTOR ANTAGONIST FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP claimed
EP-1528919-A2 THERAPEUTIC USE OF ARYL AMINO ACID DERIVATIVES Pfizer Limited (GB) 2005-05-11 EP claimed
WO-2005018622-A1 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
WO-2005018621-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
WO-2005018670-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA2DELTA LIGAND AND AN OPIOID RECEPTOR ANTAGONIST FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
US-20050043407-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US claimed
US-20050043406-A1 Pharmaceutical composition for the treatment of obesity or to facilitate or promote weight loss PFIZER INC 2005-02-24 US claimed
US-20050043345-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US claimed
US-20040138197-A1 Therapeutic use of aryl amino acid derivatives MAW GRAHAM NIGEL (GB) 2004-07-15 US claimed
WO-2004014357-A2 THERAPEUTIC USE OF ARYL AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2004-02-19 WO claimed
CN-112292370-A Isoindolines as HDAC inhibitors 瓦洛早期发现股份有限公司 2021-01-29 CN disclosed
EP-2877462-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS Celgene Corporation (US) 2015-06-03 EP disclosed
WO-2014018866-A1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORPORATION (US) 2014-01-30 WO disclosed
WO-2004014357-A2 THERAPEUTIC USE OF ARYL AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2004-02-19 WO disclosed
CN-1044912-C Novel thio-substituted cyclic phosphonate compounds, pharmaceutical compositions, and methods for treating abnormal calcium and phosphate metabolism PROCTER & GAMBLE PHARMA (US) 1999-09-01 CN disclosed
CN-1086821-A New thio-substituted cyclic phosphonate compounds, the method for pharmaceutical composition and disposal abnormal calcium and phosphate metabolism PROCTER & GAMBLE PHARMA (US) 1994-05-18 CN 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-20040138197-A1 Therapeutic use of aryl amino acid derivatives CNR1, HCRTR1, HTR6 ALDH1A1 776/4885ALOX15 1746/4885TRPA1 971/4885
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, CHRNG ALDH1A1 1298/4885ALOX15 2819/4885TRPA1 2964/4885

“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.