SCHEMBL12414643

SCHEMBL12414643

CC[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)OB(F)F)cn([C@@H]4C[C@@H]4F)c3c2OC)C[C@H]1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
KCNH2 Q12809 3/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
PRKD3 O94806 1/20 0.45
ALOX15 P16050 1/20 0.45
OPRM1 P35372 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TOP1 P11387 3/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12426651 0.87 KCNH2 (0.39) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL12167364 0.82 KDM4E (0.43) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL6953927 0.81 CYP3A4 (0.41) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL3815792 0.81 CYP3A4 (0.41) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL10306128 0.81 CYP3A4 (0.41) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL762152 0.81 CYP3A4 (0.41) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL12427281 0.81 CYP3A4 (0.41) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL2181574 0.81 KCNH2 (0.56) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL2182802 0.81 KCNH2 (0.56) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL5546134 0.81 KCNH2 (0.56) KDM4EALDH1A1HPGDKCNH2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 US disclosed
US-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 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 (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-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE AQP1, GLUL, GATD3 KDM4E 2368/4885ALDH1A1 2627/4885HPGD 578/4885

“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.