SCHEMBL2210433

SCHEMBL2210433

CN(C)/C=C/C(=O)c1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
GAA P10253 4/20 0.59
RECQL P46063 2/20 0.58
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
ALDH1A1 P00352 7/20 0.54
HPGD P15428 3/20 0.54
LMNA P02545 2/20 0.54
GPR52 Q9Y2T5 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MAPT P10636 5/20 0.48
MITF O75030 1/20 0.48
MAPK1 P28482 1/20 0.48
MDM2 Q00987 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL2210439 1.00 TDP1 (0.67) TDP1GAARECQLCYP1A2CYP2C19
SCHEMBL30432129 1.00 TDP1 (0.67) TDP1GAARECQLCYP1A2CYP2C19
SCHEMBL30442289 1.00 TDP1 (0.67) TDP1GAARECQLCYP1A2CYP2C19
SCHEMBL12401928 1.00 TDP1 (0.67) TDP1GAARECQLCYP1A2CYP2C19
SCHEMBL3742734 0.80 RECQL (0.59) TDP1GAARECQLCYP1A2CYP2C19
SCHEMBL6769397 0.80 RECQL (0.59) TDP1GAARECQLCYP2C19ALDH1A1
SCHEMBL29690244 0.80 RECQL (0.59) TDP1GAARECQLCYP2C19ALDH1A1
SCHEMBL29750390 0.80 RECQL (0.59) TDP1GAARECQLCYP1A2CYP2C19
SCHEMBL6769396 0.80 RECQL (0.59) TDP1GAARECQLCYP2C19ALDH1A1
SCHEMBL29176318 0.80 RECQL (0.59) TDP1GAARECQLCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023130023-A1 INHIBITING MONOACYLGLYCEROL LIPASE (MAGL) PSY THERAPEUTICS, INC. (US) 2023-07-06 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-20120142937-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2012-06-07 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-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
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
US-4209621-A TRANQUILIZERS AMERICAN CYANAMID COMPANY (US) 1980-06-24 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-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR3B, HTR1A TDP1 3876/4885GAA 3452/4885RECQL 1201/4885
US-20120142937-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS TYR, ALK, TTL TDP1 2543/4885GAA 2397/4885RECQL 4417/4885

“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.