SCHEMBL12433743

SCHEMBL12433743

O=C(N1CCc2ccc(Cl)c(N3CCCC3c3ccc(F)cc3)c2CC1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.38
ESR2 Q92731 5/20 0.38
NR3C2 P08235 1/20 0.37
TRPA1 O75762 2/20 0.36
PRLHR P49683 1/20 0.34
MAPK1 P28482 1/20 0.34
KCNK3 O14649 1/20 0.33
PGR P06401 1/20 0.33
RBP4 P02753 1/20 0.33
RIPK1 Q13546 1/20 0.32
HSD11B1 P28845 1/20 0.32
CYP11B2 P19099 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL4666334 0.91 RIPK1 (0.41) ESR1ESR2PRLHRPGRRIPK1
SCHEMBL12433749 0.82 ESR1 (0.41) ESR1ESR2PGR
SCHEMBL5106355 0.78 HTR2C (0.42) NR3C2TRPA1
Succinic Acid SCHEMBL2207507 0.77 NR3C2 (0.36) NR3C2TRPA1MAPK1
SCHEMBL2209332 0.76 ESR1 (0.47) ESR1ESR2CYP11B2
SCHEMBL2209263 0.73 ESR1 (0.44) ESR1ESR2CYP11B2
SCHEMBL506186 0.72 ESR1 (0.50) ESR1ESR2CYP11B2
SCHEMBL2208316 0.71 ESR1 (0.40) ESR1ESR2RIPK1
SCHEMBL506164 0.71 ESR1 (0.55) ESR1ESR2CYP11B2
SCHEMBL2209083 0.70 ESR1 (0.43) ESR1ESR2CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ESR1 300/4885ESR2 261/4885NR3C2 332/4885

“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.