SCHEMBL3390398

SCHEMBL3390398

CCOC(=O)c1cn([C@@H]2C[C@@H]2F)c2c(C)c(N3C[C@H](CF)[C@H](NC(=O)OC(C)(C)C)C3)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.38
ADRB2 P07550 1/20 0.38
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
STAT3 P40763 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
CYP3A4 P08684 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ATM Q13315 1/20 0.31
HDAC3 O15379 1/20 0.31
TUBB4A P04350 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
SCHEMBL13945284 1.00 KCNH2 (0.38) KCNH2ADRB2KDM4EHPGDSTAT3
SCHEMBL3391639 0.92 KCNH2 (0.44) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL13968307 0.81 CYP2C19 (0.40) KDM4EHPGDCYP2C19ALDH1A1HSD17B10
SCHEMBL2670352 0.81 KCNH2 (0.38) KCNH2ADRB2KDM4EHPGDSTAT3
SCHEMBL3394346 0.81 MEN1 (0.32) KDM4EHPGDALDH1A1HSD17B10KMT2A
SCHEMBL3389893 0.79 KCNH2 (0.49) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL3391189 0.79 KCNH2 (0.49) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL3389116 0.79 KCNH2 (0.49) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL12426651 0.79 KCNH2 (0.39) KCNH2KDM4EHPGDCYP2C19ALDH1A1
SCHEMBL8741054 0.76 ADRB2 (0.51) KCNH2ADRB2KDM4EHPGDSTAT3

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
EP-1857453-B1 FLUOROALKYLPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-12-29 EP disclosed
EP-1857453-B1 FLUOROALKYLPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-12-29 EP disclosed
US-20090012119-A1 FLUOROALKYLPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-01-08 US disclosed
US-20090012119-A1 FLUOROALKYLPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-01-08 US disclosed
US-20090012119-A1 FLUOROALKYLPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-01-08 US disclosed
EP-1857453-A1 FLUOROALKYLPYRROLIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2007-11-21 EP disclosed
EP-1857453-A1 FLUOROALKYLPYRROLIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2007-11-21 EP 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-20090012119-A1 FLUOROALKYLPYRROLIDINE DERIVATIVE FPR1, VIP, Q6ZSR9 KCNH2 139/4885ADRB2 1863/4885KDM4E 2389/4885

“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.