SCHEMBL752035

SCHEMBL752035

CC(C)N1CC(c2cc(CCc3ccccc3)ncn2)=C(O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.39
P2RX3 P56373 1/20 0.35
LIPG Q9Y5X9 2/20 0.33
DAO P14920 1/20 0.33
MAP2K7 O14733 1/20 0.32
GRM5 P41594 1/20 0.32
IDH1 O75874 1/20 0.32
ESR1 P03372 1/20 0.32
MAOB P27338 1/20 0.32
NAE1 Q13564 2/20 0.32
UBA3 Q8TBC4 2/20 0.32
IP6K1 Q92551 1/20 0.32
IP6K3 Q96PC2 1/20 0.32
IP6K2 Q9UHH9 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.31
PLA2G2A P14555 3/20 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
SCHEMBL755033 0.89 CSNK1A1 (0.33) DAOPLA2G2A
SCHEMBL755672 0.89 BACE1 (0.40) BACE1LIPGDAOMAP2K7ESR1
SCHEMBL752280 0.85 LIPG (0.45) BACE1LIPGMAP2K7NAE1UBA3
SCHEMBL752338 0.83 LIPG (0.39) BACE1LIPGMAP2K7IDH1NAE1
SCHEMBL753418 0.83 BACE1 (0.39) BACE1LIPGDAOMAP2K7MAOB
SCHEMBL752783 0.82 ACACB (0.38) GRM5
SCHEMBL755642 0.81 BACE1 (0.37) BACE1LIPGDAOMAP2K7NAE1
SCHEMBL756685 0.80 P2RX3 (0.38) BACE1P2RX3LIPGDAOGRM5
SCHEMBL755666 0.79 P2RX3 (0.35) BACE1P2RX3LIPGDAOIDH1
SCHEMBL752342 0.78 KMT2A (0.37) BACE1POLBTHRB

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 17 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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US 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 BACE1 1504/4885P2RX3 3526/4885LIPG 3541/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BACE1 1681/4885P2RX3 3021/4885LIPG 4229/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BACE1 1681/4885P2RX3 3021/4885LIPG 4229/4885

“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.