SCHEMBL6718700

SCHEMBL6718700

COc1cccc(Cc2ccc3c(c2)cc2n3CCNCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.55
HTR2C P28335 5/20 0.55
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRB1 P08588 1/20 0.43
LTA4H P09960 1/20 0.42
HTR1B P28222 1/20 0.41
EED O75530 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
HRH3 Q9Y5N1 1/20 0.38
MLNR O43193 1/20 0.38

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
SCHEMBL6716226 0.91 HTR2A (0.55) HTR2AHTR2CSLC6A2SLC6A4ADRB1
SCHEMBL6713897 0.85 HTR2C (0.63) HTR2AHTR2CSLC6A4LTA4HSIGMAR1
SCHEMBL26838992 0.83 HTR2A (0.77) HTR2AHTR2CADRB1HTR1BSIGMAR1
SCHEMBL6714233 0.83 HTR2A (0.54) HTR2AHTR2CSLC6A2SLC6A4HTR1B
SCHEMBL6712610 0.83 HTR2C (0.54) HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL6719172 0.81 HTR2A (0.47) HTR2AHTR2CSLC6A2SLC6A4ADRB1
SCHEMBL6715753 0.81 HTR2C (0.53) HTR2AHTR2CSLC6A2SLC6A4ADRB1
SCHEMBL6714227 0.79 HTR2C (0.55) HTR2AHTR2CSLC6A2SLC6A4SIGMAR1
SCHEMBL6718518 0.76 HTR2A (0.62) HTR2AHTR2CADRB1HTR1BSIGMAR1
SCHEMBL26675916 0.76 HTR2A (0.77) HTR2AHTR2CADRB1HTR1BSIGMAR1

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 10 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
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 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
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 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 7/4885SLC6A2 273/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885SLC6A2 1933/4885

“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.