SCHEMBL6718446

SCHEMBL6718446

Sc1ccccc1-c1ccc2c(c1)cc1n2CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.60
HTR2C P28335 15/20 0.60
HTR7 P34969 4/20 0.35
HTR1A P08908 2/20 0.33
HTR5A P47898 1/20 0.32
HTR6 P50406 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 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
SCHEMBL6713686 0.90 HTR2A (0.60) HTR2AHTR2CHTR7HTR1AHTR5A
SCHEMBL6712506 0.85 HTR2A (0.60) HTR2AHTR2CHTR7
SCHEMBL6710841 0.85 HTR2A (0.60) HTR2AHTR2CHTR7HTR1A
SCHEMBL6711013 0.84 HTR2A (0.56) HTR2AHTR2C
SCHEMBL6714399 0.82 HTR2A (0.56) HTR2AHTR2CHTR7HTR1AHTR5A
SCHEMBL6713777 0.82 HTR2A (0.56) HTR2AHTR2CHTR7HTR1AHTR6
SCHEMBL6714068 0.82 HTR2A (0.56) HTR2AHTR2C
SCHEMBL6713978 0.82 HTR2A (0.71) HTR2AHTR2CHTR5AHTR6PIM1
SCHEMBL6715711 0.81 HTR2A (0.54) HTR2AHTR2CHTR7HTR1A
SCHEMBL6715511 0.81 HTR2A (0.54) HTR2AHTR2C

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 6 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 claimed
US-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 US claimed
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
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-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 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 7/4885HTR7 6/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885HTR7 160/4885

“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.