SCHEMBL694894

SCHEMBL694894

FC(F)(F)c1ccc2c(-c3ccccc3)[c]sc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.43
G6PD P11413 1/20 0.38
TLR9 Q9NR96 1/20 0.38
NPBWR1 P48145 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
ESR1 P03372 1/20 0.35
EPHX2 P34913 1/20 0.35
BACE1 P56817 1/20 0.35
DGAT1 O75907 1/20 0.35
KCNH2 Q12809 1/20 0.35
ABCG2 Q9UNQ0 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
GRM4 Q14833 1/20 0.34
CNR1 P21554 1/20 0.34
CYP1A2 P05177 1/20 0.33
PTGER1 P34995 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
SCHEMBL147192 0.78 LIMK1 (0.38) ALDH1A1ESR1
SCHEMBL693968 0.75 KIF11 (0.38) KIF11G6PDTLR9EPHX2
SCHEMBL2956882 0.74 GPR3 (0.37) ALDH1A1
SCHEMBL145722 0.73 KIF11 (0.40) KIF11G6PDTLR9EPHX2
SCHEMBL146618 0.73 KIF11 (0.37) KIF11G6PDTLR9ESR1EPHX2
SCHEMBL694991 0.70 KIF11 (0.44) KIF11G6PDTLR9NPBWR1BACE1
SCHEMBL697831 0.70 KIF11 (0.37) KIF11EPHX2
SCHEMBL27988163 0.70 PDE2A (0.38) KIF11EPHX2KCNH2
SCHEMBL694752 0.70 KIF11 (0.40) KIF11
SCHEMBL693728 0.70 DYRK1A (0.37) KIF11ALDH1A1EPHX2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US claimed
US-8604017-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-12-10 US disclosed
US-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US disclosed
WO-2010124119-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-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KIF11 4060/4885G6PD 561/4885TLR9 4193/4885
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KIF11 4060/4885G6PD 561/4885TLR9 4193/4885

“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.