SCHEMBL755033

SCHEMBL755033

CC(C)N1CC(c2cc(CCc3ccc(F)cc3)ncn2)=C(O)C1=O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1G2 P78368 1/20 0.33
TRPA1 O75762 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KCNH2 Q12809 3/20 0.32
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
DAO P14920 1/20 0.32
PER2 O15055 3/20 0.32
CRY2 Q49AN0 2/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ELOVL1 Q9BW60 4/20 0.31
AOC3 Q16853 1/20 0.31
HTR7 P34969 1/20 0.30
PLA2G2A P14555 1/20 0.30
USP19 O94966 1/20 0.30

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
SCHEMBL752035 0.89 BACE1 (0.39) DAOPLA2G2A
SCHEMBL753054 0.86 LIPG (0.39) CSNK1A1CSNK1DCSNK1G2PTGS1PTGS2
SCHEMBL754583 0.85 NR3C2 (0.40) PTGS1PTGS2KCNH2TMEM97SIGMAR1
SCHEMBL755617 0.82 TRPA1 (0.30) TRPA1
SCHEMBL754532 0.82 JAK2 (0.43) KCNH2ELOVL1
SCHEMBL754752 0.79 USP1 (0.36) PTGS1PTGS2KCNH2TMEM97SIGMAR1
SCHEMBL755672 0.79 BACE1 (0.40) DAOPLA2G2A
SCHEMBL754375 0.78 FYN (0.33)
SCHEMBL751851 0.76 CYP11B1 (0.32)
SCHEMBL754533 0.75 SMN1; SMN2 (0.34) PTGS1PTGS2KCNH2TMEM97SIGMAR1

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 11 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
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 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 CSNK1A1 843/4885CSNK1D 784/4885CSNK1G2 1469/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CSNK1A1 861/4885CSNK1D 1264/4885CSNK1G2 1428/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CSNK1A1 861/4885CSNK1D 1264/4885CSNK1G2 1428/4885

“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.