SCHEMBL12433828

SCHEMBL12433828

COc1cccc(-c2ccnn2-c2c(Cl)ccc3c2CCNCC3)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.41
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 4/20 0.39
NISCH Q9Y2I1 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
HTR3A P46098 1/20 0.37
HTR6 P50406 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
WDR5 P61964 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35

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 SCHEMBL2208833 0.92 MAPK1 (0.40) CD274KMT2A
SCHEMBL12433825 0.89 HTR2A (0.41) HTR2AHTR2CHTR2BMAPKAPK2MAPT
SCHEMBL12433823 0.85 HTR2A (0.44) HTR2AHTR2CHTR2BHTR7HTR6
SCHEMBL12433863 0.84 HTR7 (0.45) HTR2AHTR2CHTR2BNISCHHTR1A
SCHEMBL12433844 0.82 ASIC3 (0.46) HTR2AHTR2CHTR2BMAPTKDM4E
SCHEMBL12433855 0.81 HTR2A (0.41) HTR2AHTR2CHTR2B
Succinic Acid SCHEMBL2208426 0.81 DGAT1 (0.40) HTR2AHTR2CHTR2BMAPTKDM4E
SCHEMBL12433834 0.80 HTR2B (0.45) HTR2AHTR2CHTR2BHTR1AHTR7
SCHEMBL12433853 0.80 HTR2A (0.44) HTR2AHTR2CHTR2BHTR7HTR3A
SCHEMBL12433864 0.78 HTR2A (0.43) HTR2AHTR2CHTR2BHTR1AHTR7

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 CD274 888/4885HTR2A 5/4885HTR2C 1/4885

“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.