SCHEMBL751906

SCHEMBL751906

CC(C)N1CC(c2ccc(Oc3ccccc3)nn2)=C(O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
BCAT2 O15382 1/20 0.37
ACACB O00763 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
GRM5 P41594 1/20 0.32
IDH1 O75874 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL755368 0.89 HRH3 (0.39) HRH3LIPGIDH1MEN1KMT2A
SCHEMBL753739 0.84 LIPG (0.43) HRH3BCAT2ACACBLIPGMEN1
SCHEMBL753023 0.83 HRH3 (0.41) HRH3ACACBLIPGGRM5IDH1
SCHEMBL754568 0.81 ACACB (0.40) HRH3ACACBLIPGGRM5IDH1
SCHEMBL755270 0.76 HRH3 (0.38) HRH3ACACBLIPGGRM5IDH1
SCHEMBL2486824 0.72 HRH3 (0.43) HRH3LIPGIDH1MEN1KMT2A
SCHEMBL756168 0.71 IDH1 (0.38) HRH3LIPGIDH1EGLN1
SCHEMBL752783 0.69 ACACB (0.38) HRH3ACACBGRM5HPGDTSHR
SCHEMBL755666 0.68 P2RX3 (0.35) LIPGIDH1TSHR
SCHEMBL752853 0.67 LIPG (0.42) HRH3ACACBLIPGKMT2AEGLN1

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 HRH3 2859/4885BCAT2 331/4885ACACB 2198/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HRH3 2614/4885BCAT2 342/4885ACACB 2536/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HRH3 2614/4885BCAT2 342/4885ACACB 2536/4885

“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.