SCHEMBL12433800

SCHEMBL12433800

COc1cccc(Cc2cc(C)n(-c3c(Cl)ccc4c3CCNCC4)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR6 P50406 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
HTR1B P28222 1/20 0.38
NMT1 P30419 4/20 0.37
SLC6A2 P23975 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 SCHEMBL2209156 0.93 HTR2B (0.37) HTR2BHTR2AHTR2CHTR6HTR1A
SCHEMBL12433798 0.87 HTR2B (0.52) HTR2BHTR2AHTR2C
SCHEMBL12433807 0.87 HTR2B (0.44) HTR2BHTR2AHTR2CHTR6HTR1A
SCHEMBL12433816 0.82 HTR2C (0.48) HTR2BHTR2AHTR2CHTR7
Succinic Acid SCHEMBL2215481 0.81 HTR2B (0.46) HTR2BHTR2AHTR2CHTR6CHRM5
Succinic Acid SCHEMBL2209291 0.81 HTR2B (0.41) HTR2BHTR2AHTR2CHTR6HTR1A
SCHEMBL12433792 0.81 HTR2B (0.43) HTR2BHTR2AHTR2CHTR6HTR1A
SCHEMBL12433804 0.78 HTR2B (0.43) HTR2BHTR2AHTR2CSLC6A2SLC6A4
SCHEMBL5108175 0.78 SLC16A3 (0.33) CCNB2CCNE2CDK1CDK4CCNB1
Succinic Acid SCHEMBL2208827 0.76 HTR2C (0.42) HTR2BHTR2AHTR2C

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 7/4885HTR2A 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.