SCHEMBL12433864

SCHEMBL12433864

Fc1ccc(-c2ccnn2-c2c(Cl)ccc3c2CCNCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.43
HTR2C P28335 13/20 0.43
HTR2B P41595 13/20 0.43
HTR7 P34969 3/20 0.40
HTR3A P46098 1/20 0.40
HTR5A P47898 1/20 0.40
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1E P28566 1/20 0.37
HTR6 P50406 1/20 0.37
PNMT P11086 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
KDM5A P29375 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
KDM2B Q8NHM5 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 SCHEMBL2209289 0.91 KDM5A (0.39) HTR2AHTR2CHTR2BHTR7HTR3A
SCHEMBL12433853 0.88 HTR2A (0.44) HTR2AHTR2CHTR2BHTR7HTR3A
SCHEMBL12433823 0.88 HTR2A (0.44) HTR2AHTR2CHTR2BHTR7HTR6
SCHEMBL12433863 0.88 HTR7 (0.45) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL12433852 0.88 HTR2C (0.40) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL12433838 0.86 HTR2C (0.43) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL12433825 0.85 HTR2A (0.41) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL12433862 0.83 HTR2A (0.42) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL12433855 0.82 HTR2A (0.41) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL12433857 0.82 HTR2A (0.41) HTR2AHTR2CHTR2BPNMTADRA2A

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.