SCHEMBL756685

SCHEMBL756685

CC(C)N1CC(c2nccc(CCc3ccccc3)n2)=C(O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.38
IDH1 O75874 3/20 0.36
KCNH2 Q12809 1/20 0.35
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
BACE1 P56817 1/20 0.34
GLA P06280 1/20 0.34
LIPG Q9Y5X9 2/20 0.33
DAO P14920 1/20 0.33
GRM5 P41594 2/20 0.32
ACHE P22303 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.31
ESR1 P03372 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
SCHEMBL751999 0.82 ALKBH1 (0.41) P2RX3IDH1KDM5AKDM4CGRM5
SCHEMBL752035 0.80 BACE1 (0.39) P2RX3IDH1BACE1LIPGDAO
SCHEMBL755666 0.72 P2RX3 (0.35) P2RX3IDH1KCNH2BACE1LIPG
SCHEMBL754583 0.70 NR3C2 (0.40) IDH1KCNH2KDM4AKDM5AKDM4C
SCHEMBL755270 0.69 HRH3 (0.38) IDH1LIPGGRM5
SCHEMBL755667 0.67 ALKBH1 (0.43) KDM5AKDM4CLIPGGRM5
SCHEMBL752783 0.67 ACACB (0.38) GRM5
SCHEMBL752280 0.65 LIPG (0.45) KCNH2BACE1LIPG
SCHEMBL753418 0.63 BACE1 (0.39) KDM4AKDM5AKDM4CKDM5BBACE1
SCHEMBL754568 0.63 ACACB (0.40) IDH1LIPGGRM5SMN1; SMN2

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 P2RX3 3526/4885IDH1 126/4885KCNH2 3468/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI P2RX3 3021/4885IDH1 147/4885KCNH2 3830/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI P2RX3 3021/4885IDH1 147/4885KCNH2 3830/4885

“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.