SCHEMBL96829

SCHEMBL96829

O=[C]CCc1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.57
PNMT P11086 2/20 0.50
GRM5 P41594 1/20 0.49
AOC3 Q16853 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
DAO P14920 2/20 0.46
CYP3A4 P08684 2/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 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
SCHEMBL5539186 0.89 TAAR1 (0.53) TAAR1PNMTGRM5AOC3HTR3E
SCHEMBL5541020 0.87 TAAR1 (0.52) TAAR1PNMTGRM5AOC3HTR3E
SCHEMBL5539435 0.85 TAAR1 (0.50) TAAR1PNMTGRM5AOC3HTR3E
SCHEMBL12050856 0.80 TAAR1 (0.74) TAAR1PNMTAOC3HTR3EHTR3B
SCHEMBL5703477 0.80 TAAR1 (0.57) TAAR1PNMTGRM5AOC3HTR3E
SCHEMBL28117990 0.80 MEN1 (0.50) TAAR1GRM5CHRM2CHRM1CHRM3
SCHEMBL5543807 0.80 TAAR1 (0.57) TAAR1PNMTGRM5AOC3HTR3E
SCHEMBL2986537 0.80 KMT2A (0.73) TAAR1PNMTGRM5AOC3HTR3E
SCHEMBL1759063 0.79 TAAR1 (0.55) TAAR1PNMTAOC3HTR3EHTR3B
SCHEMBL17435962 0.79 DAO (0.40) TAAR1DAOCYP3A4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
US-5753681-A INSULIN SENSITIZERS SANKYO COMPANY, LIMITED (JP) 1998-05-19 US disclosed
EP-0796618-A1 Treatment and prophylaxis of pancreatitis SANKYO COMPANY LIMITED (JP) 1997-09-24 EP disclosed
EP-0783888-A1 Use of troglitazone and related thiazolidinediones in the manufacture of a medicament for the treatment and prophylaxis of osteoporosis SANKYO COMPANY LIMITED (JP) 1997-07-16 EP disclosed
EP-0556342-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYOGYSZERKUTATO INTEZET K.V. (HU) 1993-08-25 EP disclosed
WO-1992007854-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYÓGYSZERKUTATÓ INTÉZET KV. (HU) 1992-05-14 WO disclosed
EP-0126635-B1 NOVEL OXINDOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-18 EP disclosed
US-4694017-A 2-amido 3(oxindol-3-yl)propionic acids having antiulcer activity OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-15 US disclosed
EP-0126635-A2 Novel oxindole derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-28 EP disclosed
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 US 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB TAAR1 3793/4885PNMT 4659/4885GRM5 2800/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TAAR1 2154/4885PNMT 4840/4885GRM5 2557/4885

“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.