Sugi Predict

Sugi Predict / Compounds / SCHEMBL12433843

SCHEMBL12433843

SCHEMBL12433843

FC(F)(F)c1ccccc1-c1ccnn1-c1c(Cl)ccc2c1CCNCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.39
▸ HTR2C P28335 4/20 0.39
▸ HTR2B P41595 3/20 0.39
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HTR7 P34969 2/20 0.35
▸ CYP2C19 P33261 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PNMT P11086 2/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 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
Succinic Acid SCHEMBL2208114 0.92 RORC (0.34) HTR2AHTR2CHTR2BCYP1A2CYP2C9
SCHEMBL12433834 0.81 HTR2B (0.45) HTR2AHTR2CHTR2BHTR7PNMT
SCHEMBL12433823 0.81 HTR2A (0.44) HTR2AHTR2CHTR2BHTR7PNMT
SCHEMBL12433852 0.81 HTR2C (0.40) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL12433844 0.80 ASIC3 (0.46) HTR2AHTR2CHTR2BKDM4EGABRP
SCHEMBL2208485 0.79 HTR2C (0.43) HTR2AHTR2CHTR2BHTR7ALDH1A1
SCHEMBL12433864 0.77 HTR2A (0.43) HTR2AHTR2CHTR2BHTR7PNMT
SCHEMBL12433853 0.77 HTR2A (0.44) HTR2AHTR2CHTR2BHTR7PNMT
SCHEMBL12433863 0.77 HTR7 (0.45) HTR2AHTR2CHTR2BHTR7PNMT
SCHEMBL12433860 0.76 HTR2A (0.42) HTR2AHTR2CHTR2BKDM4EALDH1A1

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 4 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

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 HTR2A 5/4885HTR2C 1/4885HTR2B 7/4885

“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.