SCHEMBL2210143

SCHEMBL2210143

CC(=O)CC(=O)CSc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.61
MTNR1A P48039 4/20 0.53
MTNR1B P49286 4/20 0.53
HTT P42858 3/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL7983926 0.86 FFAR1 (0.69) FFAR1MTNR1AMTNR1BHTTHSD17B10
SCHEMBL7407 0.85 FFAR1 (0.68) FFAR1MTNR1AMTNR1BHTTHSD17B10
SCHEMBL9179407 0.85 FFAR1 (0.74) FFAR1HTTHSD17B10POLBKMT2A
SCHEMBL7492024 0.83 FFAR1 (0.55) FFAR1MTNR1AMTNR1BHTTHSD17B10
SCHEMBL13461018 0.82 FFAR1 (0.63) FFAR1MTNR1AMTNR1BHTTHSD17B10
SCHEMBL6421307 0.79 ALDH1A1 (0.54) FFAR1HTTHSD17B10TSHRPOLB
SCHEMBL9621827 0.78 ALDH1A1 (0.66) MTNR1AMTNR1BKMT2ANPC1MEN1
SCHEMBL8237999 0.78 SLC7A5 (0.51) HSD17B10KMT2AMEN1LMNAALDH1A1
SCHEMBL29033928 0.78 FFAR1 (0.63) FFAR1MTNR1AMTNR1BHTTHSD17B10
SCHEMBL8635949 0.78 FFAR1 (0.63) FFAR1MTNR1AMTNR1BHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174004-B2 Production method of pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-08 US disclosed
EP-2958896-B1 PRODUCTION METHOD OF PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-08-30 EP disclosed
US-20160002209-A1 PRODUCTION METHOD OF PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-07 US disclosed
EP-2958896-A1 PRODUCTION METHOD OF PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2015-12-30 EP disclosed
WO-2014129668-A1 PRODUCTION METHOD OF PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 WO disclosed
EP-1924578-B1 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2013-11-06 EP disclosed
EP-1924578-B1 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2013-11-06 EP disclosed
US-7981882-B2 e.g. 7-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethanesulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine; antidepressant, anxiolytic agent; obesity, obsessive/compulsive disorder ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
US-7981882-B2 e.g. 7-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethanesulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine; antidepressant, anxiolytic agent; obesity, obsessive/compulsive disorder ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
US-7981882-B2 e.g. 7-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethanesulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine; antidepressant, anxiolytic agent; obesity, obsessive/compulsive disorder ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
US-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-09-04 US disclosed
EP-1924578-A2 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2008-05-28 EP disclosed
WO-2007028132-A2 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
WO-2007028132-A2 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
EP-0307358-B1 1,3-DIKETONES CONTAINING ETHERS OR THIOETHERS AND THEIR USE AS STABILISING AGENTS IN CHLORINATED POLYMERS CIBA-GEIGY AG (CH) 1992-02-12 EP disclosed
US-4992504-A Heat resistance, photostability CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
EP-0307358-A1 1,3-Diketones containing ethers or thioethers and their use as stabilising agents in chlorinated polymers CIBA-GEIGY AG (CH) 1989-03-15 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 (3 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-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR3B, HTR1A FFAR1 122/4885MTNR1A 225/4885MTNR1B 137/4885
US-10174004-B2 Production method of pyridazinone compounds PNPO, CYP2B6, CYP4B1 FFAR1 4783/4885MTNR1A 3446/4885MTNR1B 1346/4885
US-20160002209-A1 PRODUCTION METHOD OF PYRIDAZINONE COMPOUNDS PNPO, CYP2B6, CYP4B1 FFAR1 4783/4885MTNR1A 3446/4885MTNR1B 1346/4885

“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.