SCHEMBL7609832

SCHEMBL7609832

Sc1ccccc1-c1cccc2cc3n(c12)CCNCC3.c1coc(-c2cccc3cc4n(c23)CCNCC4)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.46
HTR2C P28335 5/20 0.46
PARP1 P09874 3/20 0.33
ABCB1 P08183 1/20 0.33
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ERAP1 Q9NZ08 1/20 0.31

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
SCHEMBL6718411 0.92 HTR2A (0.50) HTR2AHTR2CPARP1ABCB1HRH1
SCHEMBL6715280 0.90 HTR2A (0.56) HTR2AHTR2CPARP1
SCHEMBL6715392 0.76 HTR2A (0.59) HTR2AHTR2CPARP1
SCHEMBL6713804 0.76 HTR2A (0.56) HTR2AHTR2CPARP1HRH4
SCHEMBL6713706 0.75 HTR2A (0.58) HTR2AHTR2CPARP1
SCHEMBL6714438 0.75 HTR2C (0.52) HTR2AHTR2CPARP1
SCHEMBL6711108 0.73 HTR2A (0.62) HTR2AHTR2CPARP1
SCHEMBL6710943 0.73 HTR2A (0.52) HTR2AHTR2CPARP1
SCHEMBL6718939 0.73 HTR2A (0.52) HTR2AHTR2CPARP1
SCHEMBL6711057 0.73 HTR2A (0.49) HTR2AHTR2CPARP1HRH1

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-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds PHARMACIA & UPJOHN COMPANY 2002-01-03 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-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

“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.