SCHEMBL2157681

SCHEMBL2157681

OB(O)c1cccc(OCc2ccccc2)c1F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.73
ENPP2 Q13822 1/20 0.56
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HTR1A P08908 3/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KDM1A O60341 4/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
MRGPRX4 Q96LA9 3/20 0.45
NPC1 O15118 1/20 0.44
BRD4 O60885 2/20 0.44
ALPG P10696 1/20 0.44
PTK2B Q14289 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL2560139 0.87 LIPE (0.63) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL29591898 0.84 LIPE (1.00) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL132403 0.84 LIPE (1.00) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL27403574 0.82 LIPE (0.75) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL22703367 0.82 LIPE (0.75) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL3298962 0.81 LIPE (0.52) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL4459609 0.80 LIPE (0.48) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL9893416 0.80 LIPE (0.77) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL30631479 0.80 LIPE (0.77) LIPEENPP2MAPTMAPK1TDP1
SCHEMBL1064785 0.80 L3MBTL1 (0.43) LIPEENPP2MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133140-B2 Cycloalkylamne derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-15 US disclosed
EP-2341044-B1 CYCLOALKYLAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-02-26 EP disclosed
US-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-22 US disclosed
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES MARUMOTO SHINJI (JP) 2012-05-17 US disclosed
EP-2341044-A1 CYCLOALKYLAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-07-06 EP disclosed
EP-1781660-A1 IMIDAZOPYRAZINE AS TYROSINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-05-09 EP disclosed
WO-2006012422-A1 IMIDAZOPYRAZINE AS TYROSINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-02-02 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-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL LIPE 971/4885ENPP2 322/4885MAPT 4507/4885
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL LIPE 971/4885ENPP2 322/4885MAPT 4507/4885

“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.