SCHEMBL693468

SCHEMBL693468

FC(F)(F)c1ccc(Cn2cc3c[c]ccc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHB4 P54760 2/20 0.36
MAPT P10636 1/20 0.36
TEK Q02763 2/20 0.36
TGM2 P21980 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 1/20 0.35
CFTR P13569 1/20 0.34
HSP90B1 P14625 1/20 0.34
TRAP1 Q12931 1/20 0.34
SOS1 Q07889 1/20 0.34
KDR P35968 1/20 0.34
ALOX5AP P20292 1/20 0.34
P2RX3 P56373 1/20 0.33
CASP1 P29466 1/20 0.33
CASP4 P49662 1/20 0.33
CASP5 P51878 1/20 0.33
CCR9 P51686 1/20 0.33

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
SCHEMBL694150 0.85 GPR52 (0.42) KDM4EALDH1A1MAPT
SCHEMBL695221 0.85 MAPT (0.40) MAPTHDAC6
SCHEMBL1095114 0.81 ADORA3 (0.42)
SCHEMBL693201 0.80 DRD2 (0.46) DRD2KDM4EALDH1A1EPHB4MAPT
SCHEMBL27244150 0.77
SCHEMBL24690106 0.76 HSP90AA1 (0.44) KDM4EALDH1A1EPHB4MAPTTEK
SCHEMBL375814 0.74 HDAC6 (0.51) DRD2MAPTSOS1P2RX3HDAC6
SCHEMBL694658 0.73 MAPT (0.40) MAPT
SCHEMBL6844901 0.72 PTGER4 (0.46) HDAC1CCR9HDAC6
SCHEMBL188339 0.71 NOTUM (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741887-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-06-03 US claimed
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 US claimed
US-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US claimed
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP claimed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-8741887-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-06-03 US disclosed
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 US disclosed
US-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US disclosed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US 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-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA DRD2 865/4885KDM4E 1931/4885ALDH1A1 364/4885
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA DRD2 865/4885KDM4E 1931/4885ALDH1A1 364/4885

“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.