SCHEMBL12433804

SCHEMBL12433804

Cc1cc(Cc2ccccc2F)nn1-c1c(Cl)ccc2c1CCNCC2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 14/20 0.43
HTR2C P28335 10/20 0.43
HTR2A P28223 3/20 0.38
SIGMAR1 Q99720 1/20 0.34
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 1/20 0.34
KCNH2 Q12809 1/20 0.34
NLRP3 Q96P20 1/20 0.33
ADCY10 Q96PN6 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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 SCHEMBL2208422 0.93 HTR2B (0.39) HTR2BHTR2CHTR2AGUCY1A1GUCY1B1
SCHEMBL12433798 0.86 HTR2B (0.52) HTR2BHTR2CHTR2A
SCHEMBL12433816 0.84 HTR2C (0.48) HTR2BHTR2CHTR2ASIGMAR1
SCHEMBL12433807 0.83 HTR2B (0.44) HTR2BHTR2CHTR2AADCY10
SCHEMBL12433792 0.81 HTR2B (0.43) HTR2BHTR2CHTR2ASIGMAR1
Succinic Acid SCHEMBL2215481 0.80 HTR2B (0.46) HTR2BHTR2CHTR2A
SCHEMBL12433791 0.79 HTR2B (0.38) HTR2BHTR2CHTR2ASIGMAR1
SCHEMBL12433800 0.78 HTR2B (0.39) HTR2BHTR2CHTR2ASLC6A2SLC6A4
Succinic Acid SCHEMBL2208827 0.78 HTR2C (0.42) HTR2BHTR2CHTR2A
Succinic Acid SCHEMBL2209291 0.78 HTR2B (0.41) HTR2BHTR2CHTR2AGUCY1A1GUCY1B1

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.