SCHEMBL2082207

SCHEMBL2082207

CNC1([C@@H]2CCN(c3ccc4c(=O)c(C(=O)O)cn([C@@H]5C[C@H]5F)c4c3OC)C2)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.79
KCNH2 Q12809 5/20 0.55
KDM4E B2RXH2 8/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PRKD3 O94806 1/20 0.39
ALOX15 P16050 1/20 0.39
OPRM1 P35372 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TOP1 P11387 3/20 0.38
CYP2C19 P33261 1/20 0.36
GSK3B P49841 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2082211 1.00 CYP3A4 (0.79) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL2081921 0.90 CYP3A4 (0.64) CYP3A4KCNH2KDM4EALDH1A1LMNA
SCHEMBL2081922 0.90 CYP3A4 (0.64) CYP3A4KCNH2KDM4EALDH1A1LMNA
SCHEMBL482753 0.89 CYP3A4 (0.72) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL82879 0.89 CYP3A4 (1.00) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL29478146 0.89 CYP3A4 (1.00) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL82878 0.89 CYP3A4 (1.00) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL2083007 0.87 CYP3A4 (0.94) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL2083006 0.87 CYP3A4 (0.94) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL2078715 0.86 CYP3A4 (0.70) CYP3A4KCNH2KDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP claimed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 US claimed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US claimed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 EP claimed
US-7902226-B2 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP disclosed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 US disclosed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 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 (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-20040063754-A1 Dehalogeno compounds DEK, PGLS, RPS27L CYP3A4 198/4885KCNH2 1597/4885KDM4E 2484/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL CYP3A4 277/4885KCNH2 1059/4885KDM4E 2618/4885

“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.