SCHEMBL12433774

SCHEMBL12433774

Cc1cc(-c2ccccc2)n(-c2c(Cl)ccc3c2CCNCC3)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTR2B P41595 11/20 0.42
HTR2C P28335 9/20 0.42
HTR2A P28223 7/20 0.42
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.36
ADRA2A P08913 1/20 0.35
PNMT P11086 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 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 SCHEMBL2207859 0.92 ALDH1A1 (0.40) NPC1RAB9AHTR2BHTR2CHTR2A
SCHEMBL2208510 0.83 HTR2A (0.48) HTR2BHTR2CHTR2AALDH1A1MAPT
SCHEMBL12433777 0.83 ALDH1A1 (0.48) HTR2BHTR2CHTR2AALDH1A1HPGD
SCHEMBL12433759 0.82 HTR2B (0.44) HTR2BHTR2CHTR2AALDH1A1ADRA2A
SCHEMBL12433823 0.80 HTR2A (0.44) HTR2BHTR2CHTR2AADRA2APNMT
Succinic Acid SCHEMBL2208520 0.78 L3MBTL1 (0.45) HTR2BHTR2CHTR2AALDH1A1HPGD
Succinic Acid SCHEMBL2206275 0.77 ALDH1A1 (0.45) HTR2BHTR2CHTR2AALDH1A1MAPT
Succinic Acid SCHEMBL2210013 0.75 HTR2B (0.38) HTR2BHTR2CHTR2AALDH1A1ADRA2A
SCHEMBL12433798 0.75 HTR2B (0.52) HTR2BHTR2CHTR2A
SCHEMBL12433792 0.74 HTR2B (0.43) HTR2BHTR2CHTR2A

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 NPC1 2434/4885RAB9A 1812/4885HTR2B 7/4885

“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.