SCHEMBL6712463

SCHEMBL6712463

O=C(Nc1cccc(C(F)(F)F)c1)C(=O)c1c2n(c3ccccc13)CCNCC2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.59
HTR2C P28335 7/20 0.59
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
HTR6 P50406 1/20 0.43
IDH1 O75874 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
REN P00797 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL6805894 0.93 HTR2A (0.51) HTR2AHTR2CMEN1MAPTKMT2A
SCHEMBL6715343 0.86 HTR2A (0.69) HTR2AHTR2CRAB9AMEN1KMT2A
SCHEMBL6712421 0.85 HTR2A (0.60) HTR2AHTR2CRAB9AMEN1MAPT
SCHEMBL6714643 0.85 HTR2A (0.60) HTR2AHTR2CRAB9AMEN1KMT2A
SCHEMBL6714449 0.84 HTR2A (0.58) HTR2AHTR2CMEN1MAPTKMT2A
SCHEMBL6715625 0.83 HTR2A (0.62) HTR2AHTR2CMEN1MAPTKMT2A
SCHEMBL6718449 0.83 HTR2A (0.57) HTR2AHTR2CRAB9AHTR6HTT
SCHEMBL6719094 0.83 HTR2A (0.57) HTR2AHTR2CHTR6DCUN1D1REN
SCHEMBL6711345 0.83 HTR2A (0.57) HTR2AHTR2CMEN1MAPTKMT2A
SCHEMBL6710856 0.82 HTR2A (0.61) HTR2AHTR2CRAB9AMEN1MAPT

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 5 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 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 7/4885RAB9A 2240/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885RAB9A 3989/4885

“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.