SCHEMBL754583

SCHEMBL754583

CC(C)N1CC(c2cc(CCc3ccc(F)cc3)ccn2)=C(O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.40
KDM5A P29375 2/20 0.35
KDM5B Q9UGL1 2/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
IDH1 O75874 2/20 0.34
KCNH2 Q12809 2/20 0.33
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
DAO P14920 1/20 0.33
LIPG Q9Y5X9 2/20 0.32
KDM4A O75164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
MAP4K4 O95819 2/20 0.32
TNIK Q9UKE5 2/20 0.32
KLKB1 P03952 2/20 0.32
F2 P00734 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ELOVL1 Q9BW60 1/20 0.31
SCN9A Q15858 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
SCHEMBL756226 0.85 NR3C2 (0.42) NR3C2KDM5AKDM5BPTGS1PTGS2
SCHEMBL755033 0.85 CSNK1A1 (0.33) PTGS1PTGS2KCNH2TMEM97SIGMAR1
SCHEMBL754752 0.81 USP1 (0.36) PTGS1PTGS2IDH1KCNH2TMEM97
SCHEMBL755617 0.78 TRPA1 (0.30)
SCHEMBL754532 0.78 JAK2 (0.43) KCNH2LIPGELOVL1
SCHEMBL751851 0.78 CYP11B1 (0.32) IDH1LIPGKDM4CALDH1A1
SCHEMBL754375 0.77 FYN (0.33) IDH1LIPGALDH1A1
SCHEMBL754533 0.77 SMN1; SMN2 (0.34) PTGS1PTGS2IDH1KCNH2TMEM97
SCHEMBL752929 0.74 CYP4F2 (0.44) LIPG
SCHEMBL749812 0.74 NPSR1 (0.33) IDH1LIPGKDM4CALDH1A1

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
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT NR3C2 1508/4885KDM5A 415/4885KDM5B 650/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NR3C2 1110/4885KDM5A 350/4885KDM5B 638/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NR3C2 1110/4885KDM5A 350/4885KDM5B 638/4885

“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.