SCHEMBL6712495

SCHEMBL6712495

Cc1cccc(-c2cccc3cc4n(c23)CCNCC4)c1Cl.O=[N+]([O-])c1ccccc1-c1cccc2cc3n(c12)CCNCC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.44
HTR2C P28335 6/20 0.44
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
MAOB P27338 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HTR6 P50406 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD11B1 P28845 1/20 0.33
HTR2B P41595 1/20 0.33
PARP1 P09874 3/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR7 P34969 2/20 0.32
HTR1A P08908 1/20 0.32
EIF4E P06730 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL6718689 0.90 HTR2A (0.50) HTR2AHTR2CGAAMAOBMAPT
SCHEMBL6712381 0.88 HTR2A (0.51) HTR2AHTR2CPARP1HTR7HTR1A
SCHEMBL6713804 0.80 HTR2A (0.56) HTR2AHTR2CPARP1HTR7HTR1A
SCHEMBL6715772 0.77 HTR2A (0.58) HTR2AHTR2CHTR6PARP1HTR1A
SCHEMBL6711075 0.77 HTR2A (0.51) HTR2AHTR2CPARP1HTR7HTR1A
SCHEMBL6715392 0.76 HTR2A (0.59) HTR2AHTR2CMAPTPARP1HSD17B10
SCHEMBL6713197 0.75 HTR2A (0.52) HTR2AHTR2CHTR6HTR2BPARP1
SCHEMBL6719382 0.75 HTR2A (0.55) HTR2AHTR2CPARP1
SCHEMBL6715371 0.75 HTR2A (0.51) HTR2AHTR2CPARP1HTR7HTR1A
SCHEMBL6711329 0.74 HTR2A (0.45) HTR2AHTR2CMAOBPOLBPARP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds ENNIS MICHAEL DALTON (US) 2004-10-21 US claimed

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-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885MGAM 4852/4885

“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.