SCHEMBL3577862

SCHEMBL3577862

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.53
MAPT P10636 5/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
PDK2 Q15119 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 6/20 0.47
ABCB1 P08183 1/20 0.47
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
NAMPT P43490 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL3575001 0.87 MAPT (0.57) GPR119MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL3579113 0.86 KDM4E (0.55) GPR119ALDH1A1SMN1; SMN2EPHX2MEN1
SCHEMBL4931753 0.84 GPR119 (0.49) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL5683300 0.84 GPR119 (0.53) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL6928232 0.83 GPR119 (0.56) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL5682869 0.83 LMNA (0.55) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL2385957 0.83 ABCB1 (0.59) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL29556504 0.83 ABCB1 (0.59) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL6414232 0.82 GPR119 (0.56) GPR119MAPTALDH1A1LMNAPDK2
SCHEMBL6011698 0.82 GPR119 (0.56) GPR119MAPTALDH1A1LMNAPDK2

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 8 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
CN-100400523-C Substituted piperazines, (1,4) diaza * class and 2, 5-diazabicyclo (2.2.1) heptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LTD (GB) 2008-07-09 CN disclosed
CN-101070309-A Substituted piperazines as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists, (1, 4) diazabi and 2, 5-diazabicyclo (2.2.1) heptanes GLAXO GROUP LTD (GB) 2007-11-14 CN 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
CN-1726201-A Substituted piperazines, (1,4) diaza * class and 2, 5-diazabicyclo (2.2.1) heptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LTD (GB) 2006-01-25 CN disclosed
EP-1567511-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004035556-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-04-29 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-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 GPR119 213/4885MAPT 208/4885ALDH1A1 2614/4885
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 GPR119 338/4885MAPT 141/4885ALDH1A1 1903/4885

“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.