SCHEMBL3590118

SCHEMBL3590118

COCCN1CCC(Oc2ccc(CN3CCN(C(=O)c4ccccc4)CC3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
LMNA P02545 2/20 0.62
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
DRD3 P35462 1/20 0.56
KCNA5 P22460 2/20 0.53
PKM P14618 1/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 1/20 0.53
KCNH2 Q12809 1/20 0.53
MCHR1 Q99705 1/20 0.53

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
SCHEMBL3585068 0.84 HRH3 (0.76) ADRB2KMT2AMEN1LMNAKDM4E
SCHEMBL3581704 0.82 KDM4E (0.61) ADRB2KMT2AMEN1LMNAKDM4E
SCHEMBL3583221 0.81 ADRB2 (0.58) ADRB2KMT2AMEN1LMNAKDM4E
SCHEMBL2388830 0.79 ADRB2 (0.64) ADRB2KMT2AMEN1LMNASMN1; SMN2
SCHEMBL2390688 0.78 KMT2A (0.62) ADRB2KMT2AMEN1LMNAPKM
SCHEMBL2389709 0.77 ALDH1A1 (0.80) ADRB2KMT2AMEN1LMNAKDM4E
SCHEMBL18560968 0.77 KMT2A (0.62) ADRB2KMT2AMEN1LMNAPKM
SCHEMBL2392158 0.75 ADRB2 (0.64) ADRB2KMT2AMEN1KCNH2MCHR1
SCHEMBL7468027 0.74 CYP2D6 (0.80) KMT2AMEN1LMNAKDM4ESMN1; SMN2
SCHEMBL4237889 0.74 OPRK1 (0.65) ADRB2KMT2AMEN1LMNASMN1; SMN2

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 9 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-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-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-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-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.