SCHEMBL12433792

SCHEMBL12433792

Cc1cc(CCc2ccccc2)nn1-c1c(Cl)ccc2c1CCNCC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 12/20 0.43
HTR2C P28335 9/20 0.40
HTR2A P28223 3/20 0.39
MCHR1 Q99705 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
CHRM3 P20309 2/20 0.34
HTR3A P46098 2/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR6 P50406 1/20 0.34
ADRB2 P07550 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 SCHEMBL2205533 0.93 HTR2B (0.39) HTR2BHTR2CHTR2AMCHR1
SCHEMBL12433798 0.91 HTR2B (0.52) HTR2BHTR2CHTR2ACHRM3HTR3A
Succinic Acid SCHEMBL2215481 0.84 HTR2B (0.46) HTR2BHTR2CHTR2ACHRM3HTR3A
SCHEMBL12433791 0.84 HTR2B (0.38) HTR2BHTR2CHTR2ASIGMAR1
SCHEMBL12433807 0.82 HTR2B (0.44) HTR2BHTR2CHTR2AHTR1AHTR7
SCHEMBL12433804 0.81 HTR2B (0.43) HTR2BHTR2CHTR2ASIGMAR1
SCHEMBL12433800 0.81 HTR2B (0.39) HTR2BHTR2CHTR2AHTR1AHTR7
SCHEMBL12433816 0.80 HTR2C (0.48) HTR2BHTR2CHTR2ASIGMAR1HTR7
SCHEMBL2208510 0.80 HTR2A (0.48) HTR2BHTR2CHTR2AHTR6
Succinic Acid SCHEMBL2208029 0.78 GRM5 (0.38) HTR2BHTR2CHTR2ASIGMAR1

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.