SCHEMBL3583532

SCHEMBL3583532

CC(=O)Oc1ccc(N2CCN(C(C)=O)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.63
CASP6 P55212 1/20 0.63
MAPT P10636 6/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.54
GLA P06280 1/20 0.53
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 1/20 0.51
AKR1C3 P42330 1/20 0.50
USP2 O75604 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HIF1A Q16665 1/20 0.50
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NCOA1 Q15788 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49

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
SCHEMBL11035023 0.91 GLA (0.61) GFERCASP6MAPTKMT2AMEN1
SCHEMBL3921979 0.87 GFER (0.59) GFERCASP6MAPTKMT2AMEN1
SCHEMBL9937342 0.85 GAA (0.57) GFERMAPTKMT2AMEN1L3MBTL1
SCHEMBL4182066 0.85 L3MBTL1 (0.73) GFERCASP6MAPTKMT2AMEN1
SCHEMBL4812656 0.84 GLA (0.57) GFERMAPTKMT2AMEN1L3MBTL1
SCHEMBL3903464 0.83 GFER (0.63) GFERCASP6MAPTKMT2AMEN1
SCHEMBL4182062 0.83 GFER (0.63) GFERCASP6MAPTKMT2AMEN1
SCHEMBL17528854 0.82 GFER (0.61) GFERCASP6MAPTKMT2AMEN1
SCHEMBL6554169 0.81 ALDH1A1 (0.58) MAPTKMT2AMEN1GLAALDH1A1
SCHEMBL15979566 0.81 GFER (0.59) GFERCASP6MAPTKMT2AMEN1

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
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 (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-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 GFER 3920/4885CASP6 4030/4885MAPT 141/4885

“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.