SCHEMBL754375

SCHEMBL754375

CC(C)N1CC(c2cnc(Cc3ccc(F)cc3)cn2)=C(O)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.33
MET P08581 2/20 0.32
GAA P10253 1/20 0.32
OPRK1 P41145 1/20 0.32
CCR6 P51684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LIPG Q9Y5X9 1/20 0.31
GRK5 P34947 1/20 0.31
CNR2 P34972 1/20 0.31
IDH1 O75874 1/20 0.30
HTT P42858 1/20 0.30
CYP3A4 P08684 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL751851 0.88 CYP11B1 (0.32) FYNMETGAAOPRK1CCR6
SCHEMBL755059 0.86 LIPG (0.40) FYNMETGAAOPRK1CCR6
SCHEMBL749812 0.82 NPSR1 (0.33) FYNGAAOPRK1CCR6SMN1; SMN2
SCHEMBL752929 0.80 CYP4F2 (0.44) LIPG
SCHEMBL2486824 0.79 HRH3 (0.43) SMN1; SMN2LIPGIDH1HTTALDH1A1
SCHEMBL752070 0.78 SMN1; SMN2 (0.43) FYNGAAOPRK1CCR6SMN1; SMN2
SCHEMBL755033 0.78 CSNK1A1 (0.33)
SCHEMBL754752 0.77 USP1 (0.36) SMN1; SMN2LIPGIDH1CYP3A4ALDH1A1
SCHEMBL754583 0.77 NR3C2 (0.40) LIPGIDH1ALDH1A1
SCHEMBL754532 0.77 JAK2 (0.43) TDP1LIPG

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 FYN 3243/4885MET 2343/4885GAA 1106/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI FYN 3122/4885MET 2236/4885GAA 1442/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI FYN 3122/4885MET 2236/4885GAA 1442/4885

“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.