SCHEMBL755768

SCHEMBL755768

O=C1C(O)=C(c2ccc(Cc3ccc(F)cc3)cn2)CN1CCO

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.34
HTT P42858 1/20 0.33
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 3/20 0.33
HSP90AA1 P07900 1/20 0.32
RIPK3 Q9Y572 1/20 0.31
MET P08581 1/20 0.31
KMT2A Q03164 1/20 0.31
FYN P06241 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
GAA P10253 1/20 0.31
OPRK1 P41145 1/20 0.31
CCR6 P51684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL753420 0.88 ALDH1A1 (0.39) LIPGALDH1A1SMN1; SMN2TDP1
SCHEMBL752339 0.86 LIPG (0.42) LIPGHTTCYP11B1CYP11B2MET
SCHEMBL754324 0.81 LMNA (0.44) HTTMETALDH1A1NPSR1GAA
SCHEMBL751851 0.81 CYP11B1 (0.32) LIPGCYP11B1CYP11B2METKMT2A
SCHEMBL755319 0.75 JAK2 (0.43) LIPGHTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL754144 0.72 LIPG (0.42) LIPGHTTKMT2AFYNALDH1A1
SCHEMBL755059 0.72 LIPG (0.40) LIPGHTTMETFYNALDH1A1
SCHEMBL14384843 0.71 KCNH2 (0.31) HTTHSP90AA1
SCHEMBL754314 0.70 LIPG (0.48) LIPG
SCHEMBL754447 0.68 LIPG (0.41) LIPGHSP90AA1ALDH1A1

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 LIPG 3541/4885HTT 4561/4885CYP11B1 1880/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885HTT 4541/4885CYP11B1 1632/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885HTT 4541/4885CYP11B1 1632/4885

“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.