SCHEMBL6714092

SCHEMBL6714092

CCOc1ccc2nc(NC(=O)C(=O)c3c4n(c5ccccc35)CCNCC4)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
SMN1; SMN2 Q16637 8/20 0.50
TP53 P04637 2/20 0.50
RAB9A P51151 8/20 0.49
NPC1 O15118 6/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PSMD14 O00487 1/20 0.49
USP2 O75604 2/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PKM P14618 1/20 0.49
OPRK1 P41145 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CSNK1D P48730 3/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL6713935 0.91 HTR2A (0.49) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL6715514 0.88 CSNK2A2 (0.49) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL6718786 0.87 HTR2A (0.52) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL6715283 0.86 HTR2A (0.52) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL6711213 0.86 HTR2A (0.52) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL6711186 0.85 HTR2A (0.57) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL6718323 0.85 HTR2A (0.52) RAB9ANPC1HTR2AHTR2CABL1
SCHEMBL6718997 0.83 HTR2A (0.51) CSNK1DHTR2AHTR2CLRRK2
SCHEMBL6713532 0.83 HTR2A (0.52) MAPTTP53RAB9ANPC1KMT2A
SCHEMBL6711950 0.83 HTR2A (0.48) MAPTSMN1; SMN2RAB9ANPC1KMT2A

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 MAPT 2943/4885SMN1; SMN2 3137/4885TP53 4831/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 MAPT 3309/4885SMN1; SMN2 3483/4885TP53 4465/4885

“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.