SCHEMBL6711057

SCHEMBL6711057

Cc1ccc(-c2cccc3cc4n(c23)CCNCC4)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.49
HTR2C P28335 7/20 0.49
ADRB1 P08588 3/20 0.37
HTR1A P08908 12/20 0.36
HTR3A P46098 11/20 0.36
HTR7 P34969 4/20 0.35
CYP1A2 P05177 2/20 0.35
ADRB2 P07550 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
HRH2 P25021 2/20 0.35
HTR1B P28222 2/20 0.35
SLC6A4 P31645 2/20 0.35
HRH1 P35367 2/20 0.35
HTR5A P47898 2/20 0.35
HTR6 P50406 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PARP1 P09874 1/20 0.34

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
SCHEMBL6713804 0.89 HTR2A (0.56) HTR2AHTR2CADRB1HTR1AHTR7
SCHEMBL6711534 0.88 HTR2A (0.47) HTR2AHTR2CHTR1AHTR7SLC6A4
SCHEMBL6713197 0.88 HTR2A (0.52) HTR2AHTR2CADRB1HTR1AHTR3A
SCHEMBL6715371 0.88 HTR2A (0.51) HTR2AHTR2CHTR1AHTR7PARP1
SCHEMBL6715823 0.86 HTR2A (0.48) HTR2AHTR2CADRB1HTR1AHTR3A
SCHEMBL6714489 0.86 HTR2A (0.45) HTR2AHTR2CHTR6PARP1
SCHEMBL6718285 0.86 HTR2A (0.47) HTR2AHTR2CADRB1HTR1AHTR3A
SCHEMBL6716179 0.85 HTR2A (0.51) HTR2AHTR2CADRB1HTR1AHTR7
SCHEMBL6711075 0.85 HTR2A (0.51) HTR2AHTR2CADRB1HTR1AHTR3A
SCHEMBL6715391 0.83 HTR2A (0.55) HTR2AHTR2CHTR3APARP1

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 8 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
EP-1328525-A2 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-A]INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-23 EP 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
WO-2001072752-A2 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-a]INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2001-10-04 WO 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 7/4885ADRB1 30/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885ADRB1 187/4885

“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.