Sugi Predict

Sugi Predict / Compounds / SCHEMBL12433855

SCHEMBL12433855

SCHEMBL12433855

Clc1ccc2c(c1-n1nccc1-c1cccnc1)CCNCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.41
▸ HTR2C P28335 4/20 0.41
▸ HTR2B P41595 4/20 0.41
▸ CYP11B2 P19099 5/20 0.35
▸ CYP11B1 P15538 4/20 0.35
▸ PNMT P11086 2/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 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 SCHEMBL2211440 0.91 CYP11B2 (0.35) HTR2AHTR2CHTR2BCYP11B2CYP11B1
SCHEMBL12433823 0.89 HTR2A (0.44) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL12433853 0.86 HTR2A (0.44) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL12433863 0.83 HTR7 (0.45) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL12433864 0.82 HTR2A (0.43) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL12433828 0.81 CD274 (0.41) HTR2AHTR2CHTR2B
SCHEMBL12433844 0.81 ASIC3 (0.46) HTR2AHTR2CHTR2BPARP10PARP11
Succinic Acid SCHEMBL2209062 0.81 HTR2B (0.38) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL12433862 0.81 HTR2A (0.42) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL12433838 0.80 HTR2C (0.43) HTR2AHTR2CHTR2BPNMTADRA2A

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 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.