SCHEMBL752783

SCHEMBL752783

CC(C)N1CC(c2cc(OCc3ccccc3)ncn2)=C(O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
PKM P14618 1/20 0.37
GRM5 P41594 3/20 0.36
PTGER1 P34995 1/20 0.35
DAPK1 P53355 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MCHR1 Q99705 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
GRM3 Q14832 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33

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
SCHEMBL754532 0.90 JAK2 (0.43) ACACBLMNATSHRMAPK1GRM5
SCHEMBL755294 0.89 MRGPRX4 (0.33) ACACBALDH1A1HPGDHTTGRM5
SCHEMBL755973 0.86 PKM (0.41) ACACBALDH1A1LMNAHPGDTSHR
SCHEMBL752035 0.82 BACE1 (0.39) GRM5
SCHEMBL751999 0.79 ALKBH1 (0.41) ACACBPKMGRM5PTGER1MCHR1
SCHEMBL754565 0.78 LIPG (0.35) ALDH1A1HPGDHTT
SCHEMBL753011 0.75 JAK2 (0.45) LMNATSHRMAPK1GRM5JAK2
SCHEMBL751416 0.74 JAK2 (0.44) ALDH1A1LMNATSHRMAPK1HTT
SCHEMBL754125 0.74 LIPG (0.33)
SCHEMBL756649 0.73 KMO (0.47) ALDH1A1LMNAHPGDTSHRHTT

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 ACACB 2198/4885ALDH1A1 658/4885LMNA 2825/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ACACB 2536/4885ALDH1A1 424/4885LMNA 2945/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ACACB 2536/4885ALDH1A1 424/4885LMNA 2945/4885

“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.