SCHEMBL3583221

SCHEMBL3583221

CC(C)(C)OC(=O)N1CCC(Oc2ccc(CN3CCN(C(=O)c4ccccc4)CC3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
LMNA P02545 2/20 0.58
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KCNH2 Q12809 2/20 0.54
PKM P14618 1/20 0.53
MAPK1 P28482 1/20 0.53
MCHR1 Q99705 1/20 0.52
ALDH1A1 P00352 1/20 0.52
FAAH O00519 1/20 0.52

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
SCHEMBL2390688 0.93 KMT2A (0.62) ADRB2KMT2AMEN1LMNAPKM
SCHEMBL12027267 0.88 KMT2A (0.64) ADRB2KMT2AMEN1
SCHEMBL2392158 0.88 ADRB2 (0.64) ADRB2KMT2AMEN1KCNH2MCHR1
SCHEMBL13660321 0.86 HRH3 (0.60) ADRB2KMT2AMEN1KCNH2MCHR1
SCHEMBL3585068 0.83 HRH3 (0.76) ADRB2KMT2AMEN1LMNAKDM4E
SCHEMBL5205491 0.83 HRH3 (0.60) ADRB2KMT2AMEN1SMN1; SMN2KCNH2
SCHEMBL3587239 0.83 GPR119 (0.58) ADRB2KMT2AMEN1KCNH2
SCHEMBL12239153 0.82 GPR119 (0.60) ADRB2KMT2AMEN1KDM4EALDH1A1
SCHEMBL3581704 0.81 KDM4E (0.61) ADRB2KMT2AMEN1LMNAKDM4E
SCHEMBL3590118 0.81 ADRB2 (0.62) ADRB2KMT2AMEN1LMNAKDM4E

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 5 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
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 ADRB2 162/4885KMT2A 222/4885MEN1 2423/4885
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 ADRB2 152/4885KMT2A 209/4885MEN1 1222/4885

“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.