Sugi Predict

Sugi Predict / Compounds / SCHEMBL12433825

SCHEMBL12433825

SCHEMBL12433825

COc1ccc(-c2ccnn2-c2c(Cl)ccc3c2CCNCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 6/20 0.41
▸ HTR2C P28335 6/20 0.41
▸ HTR2B P41595 6/20 0.41
▸ DGAT1 O75907 1/20 0.39
▸ MAPKAPK2 P49137 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ NPBWR1 P48145 2/20 0.35
▸ MCHR1 Q99705 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ PNMT P11086 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ SYK P43405 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 SCHEMBL2208426 0.92 DGAT1 (0.40) HTR2AHTR2CHTR2BDGAT1MAPT
SCHEMBL12433828 0.89 CD274 (0.41) HTR2AHTR2CHTR2BMAPKAPK2MAPT
SCHEMBL12433864 0.85 HTR2A (0.43) HTR2AHTR2CHTR2BKDM5AKDM4C
SCHEMBL12433853 0.85 HTR2A (0.44) HTR2AHTR2CHTR2BADRA2APNMT
SCHEMBL12433823 0.85 HTR2A (0.44) HTR2AHTR2CHTR2BADRA2APNMT
SCHEMBL12433838 0.83 HTR2C (0.43) HTR2AHTR2CHTR2BMAPKAPK2ADRA2A
SCHEMBL12433852 0.83 HTR2C (0.40) HTR2AHTR2CHTR2BMCHR1ADRA2A
Succinic Acid SCHEMBL2208833 0.81 MAPK1 (0.40) KDM5AKDM4CKDM5B
SCHEMBL12433834 0.81 HTR2B (0.45) HTR2AHTR2CHTR2BPNMT
SCHEMBL12433862 0.80 HTR2A (0.42) HTR2AHTR2CHTR2BKDM5AKDM4C

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 5 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
WO-2007028132-A2 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 — — WO 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 HTR2A 5/4885HTR2C 1/4885HTR2B 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.