SCHEMBL697590

SCHEMBL697590

FC(F)(F)c1ccc2c(C3CC3)[c]sc2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.36
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
PNMT P11086 1/20 0.34
KIF11 P52732 4/20 0.33
EPHX2 P34913 1/20 0.33
SCN4A P35499 1/20 0.33
PDE2A O00408 1/20 0.32
PTPN5 P54829 1/20 0.32
IDO1 P14902 1/20 0.32
HTR3A P46098 1/20 0.31
DRD2 P14416 1/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL694098 0.79 ALDH1A1 (0.35) DRD2
SCHEMBL693968 0.75 KIF11 (0.38) KIF11EPHX2SCN4APTPN5IDO1
SCHEMBL145722 0.73 KIF11 (0.40) KIF11EPHX2SCN4APTPN5HRH4
SCHEMBL146618 0.73 KIF11 (0.37) KIF11EPHX2SCN4APDE2APTPN5
SCHEMBL693324 0.73 ALDH1A1 (0.33) HTR2CDRD2
SCHEMBL697831 0.70 KIF11 (0.37) KIF11EPHX2SCN4APTPN5
SCHEMBL27988163 0.70 PDE2A (0.38) HTR2CKIF11EPHX2SCN4APDE2A
SCHEMBL694894 0.69 KIF11 (0.43) KIF11EPHX2
SCHEMBL27988143 0.67 HTR2A (0.36) HTR2CKIF11EPHX2SCN4APDE2A
SCHEMBL693728 0.67 DYRK1A (0.37) KIF11EPHX2SCN4A

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-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US claimed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-8722658-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-13 US disclosed
US-20130137674-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (US) 2013-05-30 US disclosed
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US disclosed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 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-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HTR2C 2002/4885CHRNB2 3880/4885CHRNA4 4538/4885
US-20130137674-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HTR2C 2002/4885CHRNB2 3880/4885CHRNA4 4538/4885

“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.