SCHEMBL6712411

SCHEMBL6712411

COc1ccc(NC(=O)C(=O)c2c3n(c4ccccc24)CCNCC3)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.54
HTR2C P28335 6/20 0.54
KDM4E B2RXH2 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
DUSP3 P51452 1/20 0.42
PTPN11 Q06124 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
GRM4 Q14833 1/20 0.41

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
SCHEMBL6711021 0.89 HTR2A (0.61) HTR2AHTR2CALDH1A1KMT2AMEN1
SCHEMBL6715349 0.86 HTR2A (0.57) HTR2AHTR2C
SCHEMBL6715495 0.85 HTR2A (0.60) HTR2AHTR2CMAPT
SCHEMBL6718449 0.84 HTR2A (0.57) HTR2AHTR2CALDH1A1HTT
SCHEMBL6718374 0.84 HTR2A (0.64) HTR2AHTR2CKMT2AMEN1MAPT
SCHEMBL6712404 0.83 HTR2C (0.60) HTR2AHTR2CKDM4EALDH1A1KMT2A
SCHEMBL6712421 0.83 HTR2A (0.60) HTR2AHTR2CALDH1A1KMT2AMEN1
SCHEMBL6710856 0.82 HTR2A (0.61) HTR2AHTR2CKMT2AMEN1MAPT
SCHEMBL6713879 0.82 HTR2A (0.64) HTR2AHTR2CALDH1A1KMT2AMEN1
SCHEMBL6715343 0.81 HTR2A (0.69) HTR2AHTR2CALDH1A1KMT2AMEN1

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 7/4885KDM4E 1296/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885KDM4E 3204/4885

“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.