SCHEMBL12433844

SCHEMBL12433844

FC(F)(F)c1cccc(-c2ccnn2-c2c(Cl)ccc3c2CCNCC3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.46
HTR2C P28335 5/20 0.40
HTR2B P41595 3/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
JAK2 O60674 1/20 0.39
PTK2 Q05397 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTR2A P28223 1/20 0.38
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36

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 SCHEMBL2205175 0.92 ASIC3 (0.39) ASIC3HTR2CHTR2BPARP10PARP11
SCHEMBL12433852 0.89 HTR2C (0.40) ASIC3HTR2CHTR2BHTR2A
SCHEMBL12433863 0.86 HTR7 (0.45) HTR2CHTR2BPARP10PARP11HTR2A
SCHEMBL12433823 0.85 HTR2A (0.44) HTR2CHTR2BHTR2A
SCHEMBL12433828 0.82 CD274 (0.41) HTR2CHTR2BKDM4EHTR2AKMT2A
SCHEMBL12433855 0.81 HTR2A (0.41) HTR2CHTR2BPARP10PARP11HTR2A
Succinic Acid SCHEMBL2208252 0.81 HTR2C (0.37) HTR2CHTR2BHTR2AMAPTMAPK14
SCHEMBL12433864 0.81 HTR2A (0.43) HTR2CHTR2BHTR2A
SCHEMBL12433843 0.80 HTR2A (0.39) HTR2CHTR2BKDM4EHTR2AGABRP
SCHEMBL12433853 0.80 HTR2A (0.44) HTR2CHTR2BHTR2A

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 ASIC3 1634/4885HTR2C 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.