SCHEMBL12433834

SCHEMBL12433834

COc1ccccc1-c1ccnn1-c1c(Cl)ccc2c1CCNCC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.45
HTR2C P28335 4/20 0.45
HTR2A P28223 4/20 0.45
HTR7 P34969 5/20 0.45
PNMT P11086 1/20 0.40
ALK Q9UM73 2/20 0.38
HTR6 P50406 2/20 0.37
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1E P28566 1/20 0.35
HTR3A P46098 1/20 0.35
HTR5A P47898 1/20 0.35
S1PR1 P21453 1/20 0.35
PDE10A Q9Y233 1/20 0.34

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 SCHEMBL2209587 0.92 HTR7 (0.39) HTR2BHTR2CHTR2AHTR7PNMT
SCHEMBL12433843 0.81 HTR2A (0.39) HTR2BHTR2CHTR2AHTR7PNMT
SCHEMBL12433823 0.81 HTR2A (0.44) HTR2BHTR2CHTR2AHTR7PNMT
SCHEMBL12433825 0.81 HTR2A (0.41) HTR2BHTR2CHTR2APNMT
SCHEMBL12433828 0.80 CD274 (0.41) HTR2BHTR2CHTR2AHTR7HTR6
SCHEMBL2208485 0.79 HTR2C (0.43) HTR2BHTR2CHTR2AHTR7PNMT
SCHEMBL12433864 0.77 HTR2A (0.43) HTR2BHTR2CHTR2AHTR7PNMT
SCHEMBL14091664 0.77 HTR2A (0.58) HTR2BHTR2CHTR2AHTR7PNMT
SCHEMBL12433853 0.77 HTR2A (0.44) HTR2BHTR2CHTR2AHTR7PNMT
SCHEMBL12433860 0.76 HTR2A (0.42) HTR2BHTR2CHTR2APNMTHTR6

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

“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.