SCHEMBL4534029

SCHEMBL4534029

[CH2]N1CCN(C(=O)NCC)CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.83
HTT P42858 3/20 0.62
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
FAAH O00519 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRD4 O60885 1/20 0.39
MTNR1B P49286 2/20 0.38
MTNR1A P48039 1/20 0.38

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
SCHEMBL4534033 0.83 KMT2A (0.83) KMT2AHTTPOLBTDP1FAAH
SCHEMBL12800844 0.83 KMT2A (0.83) KMT2AHTTPOLBTDP1FAAH
SCHEMBL13674468 0.83 KMT2A (0.83) KMT2AHTTPOLBTDP1FAAH
SCHEMBL19741751 0.82
SCHEMBL965286 0.82 KMT2A (0.82) KMT2AHTTPOLBMAPK1RAB9A
SCHEMBL17273858 0.80 KMT2A (0.78) KMT2AHTTTDP1MAPK1RAB9A
SCHEMBL4803949 0.80 KMT2A (0.78) KMT2AHTTTDP1MAPK1RAB9A
SCHEMBL966438 0.80 KMT2A (0.78) KMT2AHTTTDP1MAPK1RAB9A
SCHEMBL12156813 0.79 KMT2A (0.76) KMT2AHTTPOLBTDP1CYP2D6
SCHEMBL4035828 0.79 TDP1 (0.59) KMT2AHTTPOLBTDP1MAPK1

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-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2009-08-13 US claimed
EP-1963331-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2008-09-03 EP claimed
WO-2007070796-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2007-06-21 WO claimed
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2009-08-13 US disclosed
EP-1963331-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2008-09-03 EP disclosed
WO-2007070796-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2007-06-21 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 (1 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-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents NR1H4, NR1I2, GPBAR1 KMT2A 4612/4885HTT 4543/4885POLB 4871/4885

“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.