SCHEMBL6715458

SCHEMBL6715458

FC(F)Oc1ccc(-c2ccc3c(c2)cc2n3CCNCC2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.44
HTR2C P28335 8/20 0.44
DYRK1A Q13627 3/20 0.35
GSK3B P49841 2/20 0.35
WNT1 P04628 1/20 0.35
CLK2 P49760 2/20 0.34
CLK3 P49761 2/20 0.34
CRHR1 P34998 4/20 0.31
DAGLA Q9Y4D2 2/20 0.31
SCN9A Q15858 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
HTR6 P50406 1/20 0.30

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
SCHEMBL6712213 0.92 HTR2A (0.44) HTR2AHTR2CDYRK1AGSK3BWNT1
SCHEMBL6711201 0.90 HTR2A (0.44) HTR2AHTR2CDYRK1AGSK3BWNT1
SCHEMBL6718716 0.88 HTR2C (0.44) HTR2AHTR2CSCN9A
SCHEMBL6712409 0.86 HTR2A (0.57) HTR2AHTR2C
SCHEMBL6714119 0.84 HTR2A (0.47) HTR2AHTR2C
SCHEMBL6714328 0.83 HTR2A (0.50) HTR2AHTR2C
SCHEMBL6713913 0.82 HTR2A (0.56) HTR2AHTR2C
SCHEMBL6718281 0.82 HTR2A (0.44) HTR2AHTR2CDYRK1AGSK3BWNT1
SCHEMBL6712590 0.80 HTR2C (0.47) HTR2AHTR2C
SCHEMBL6711043 0.80 HTR2C (0.44) HTR2AHTR2CSCN9A

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 7/4885DYRK1A 1733/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885DYRK1A 2703/4885

“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.