SCHEMBL3579113

SCHEMBL3579113

CC(C)(C)OC(=O)N1CCN(c2cccc(OCCCN3CCCCC3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 2/20 0.55
TLR9 Q9NR96 1/20 0.55
TLR7 Q9NYK1 1/20 0.55
EPHX2 P34913 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.53
HRH3 Q9Y5N1 2/20 0.52
ESR1 P03372 2/20 0.50
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR119 Q8TDV5 1/20 0.48

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
SCHEMBL3579866 0.88 HRH3 (0.63) KDM4EALDH1A1TLR9TLR7EPHX2
SCHEMBL3583116 0.87 HRH3 (0.61) ALDH1A1TLR9TLR7EPHX2HRH3
SCHEMBL3577862 0.86 GPR119 (0.53) ALDH1A1KMT2AEPHX2MEN1TSHR
SCHEMBL3580230 0.85 HRH3 (0.59) KDM4EALDH1A1TLR9TLR7EPHX2
SCHEMBL6471511 0.85 KDM4E (0.62) KDM4EALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL3576150 0.84 KDM4E (0.56) KDM4EALDH1A1KMT2ATLR9TLR7
SCHEMBL3587105 0.84 GPR119 (0.52) KDM4EALDH1A1KMT2ATLR9TLR7
SCHEMBL3578935 0.83 TLR9 (0.55) KDM4EALDH1A1TLR9TLR7EPHX2
SCHEMBL3584340 0.83 HRH3 (0.60) ALDH1A1HRH3
SCHEMBL3581553 0.82 TLR9 (0.49) TLR9TLR7EPHX2HRH3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
US-7615550-B2 Substituted piperazines,(1,4) diazepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LIMITED (GB) 2009-11-10 US disclosed
US-20060025404-A1 Substituted piperazines,(1,4) diaszepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine h1 and/or h3 antagonists or histamine h3 reverse antagonists GLAXO GROUP LIMITED (GB) 2006-02-02 US 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-20060025404-A1 Substituted piperazines,(1,4) diaszepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine h1 and/or h3 antagonists or histamine h3 reverse antagonists HRH3, HRH4, HRH2 KDM4E 564/4885ALDH1A1 2614/4885KMT2A 222/4885
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS HRH3, HRH4, HRH2 KDM4E 393/4885ALDH1A1 1903/4885KMT2A 209/4885

“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.