SCHEMBL6718547

SCHEMBL6718547

Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)c3c4n(c5ccccc35)CCNCC4)c2n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
KMT2A Q03164 6/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 2/20 0.51
PKM P14618 1/20 0.51
GAA P10253 1/20 0.47
HTR2A P28223 5/20 0.47
HTR2C P28335 5/20 0.47
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
USP2 O75604 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
SCHEMBL6719225 0.88 HIF1A (0.51) KDM4EKMT2AALDH1A1MEN1HTT
SCHEMBL6712051 0.87 HTR2A (0.47) KDM4EKMT2AALDH1A1MEN1HTT
SCHEMBL6712475 0.81 HTR2A (0.50) KDM4EKMT2AALDH1A1MEN1PKM
SCHEMBL6713124 0.80 HTR2A (0.56) KDM4EKMT2AALDH1A1MEN1HTR2A
SCHEMBL6719295 0.80 HTR2A (0.58) KMT2AHTR2AHTR2C
SCHEMBL6711349 0.79 HTR2A (0.51) KDM4EKMT2AALDH1A1MEN1HTT
SCHEMBL6713598 0.78 HTR2A (0.50) KDM4EALDH1A1HTTHTR2AHTR2C
SCHEMBL6711312 0.78 HTR2A (0.58) KDM4EKMT2AALDH1A1MEN1HTT
SCHEMBL6713693 0.76 HTR2C (0.54) KDM4EALDH1A1HTTGAAHTR2A
SCHEMBL6712136 0.76 HTR2A (0.56) KDM4EKMT2AALDH1A1MEN1HTR2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 US 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 KDM4E 1296/4885KMT2A 2065/4885ALDH1A1 192/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 KDM4E 3204/4885KMT2A 2525/4885ALDH1A1 3342/4885

“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.