SCHEMBL6718849

SCHEMBL6718849

O=Cc1cccc(-c2cccc3cc4n(c23)CCNCC4)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.47
HTR2C P28335 6/20 0.47
PARP1 P09874 12/20 0.40
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
PIM2 Q9P1W9 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
SCHEMBL6713706 0.84 HTR2A (0.58) HTR2AHTR2CPARP1HTR1AHTR7
SCHEMBL6720017 0.82 HTR2C (0.54) HTR2AHTR2CPARP1HTR1AHTR7
SCHEMBL6713479 0.81 HTR2A (0.55) HTR2AHTR2CPARP1HTR1AHTR7
SCHEMBL6718960 0.80 HTR2A (0.54) HTR2AHTR2CHTR1AHTR7PIM2
SCHEMBL6712501 0.80 HTR2A (0.54) HTR2AHTR2CHTR1AHTR7PIM2
SCHEMBL6711332 0.80 HTR2A (0.48) HTR2AHTR2CPARP1
SCHEMBL6711329 0.80 HTR2A (0.45) HTR2AHTR2CPARP1HTR1AHTR7
SCHEMBL6715232 0.79 HTR2A (0.47) HTR2AHTR2CPARP1
SCHEMBL6713753 0.79 HTR2C (0.47) HTR2AHTR2CPARP1
SCHEMBL6712197 0.78 HTR2A (0.51) HTR2AHTR2CPARP1

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 2 patents. 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 disclosed
US-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds PHARMACIA & UPJOHN COMPANY 2002-01-03 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 (2 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-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HTR1D, HTR1A, HTR1E HTR2A 18/4885HTR2C 7/4885PARP1 1281/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885PARP1 1140/4885

“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.