SCHEMBL755666

SCHEMBL755666

CC(C)N1CC(c2cc(CCc3ccccc3)cnn2)=C(O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.35
LIPG Q9Y5X9 2/20 0.34
DAO P14920 1/20 0.33
BACE1 P56817 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
MAP3K5 Q99683 2/20 0.32
DAGLA Q9Y4D2 2/20 0.31
ALOX15 P16050 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
VCP P55072 1/20 0.31
IDH1 O75874 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAOB P27338 1/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
RAB9A P51151 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
SCHEMBL754337 0.85 LIPG (0.46) LIPGDAOBACE1KCNH2TSHR
SCHEMBL752035 0.79 BACE1 (0.39) P2RX3LIPGDAOBACE1POLB
SCHEMBL756685 0.72 P2RX3 (0.38) P2RX3LIPGDAOBACE1POLB
SCHEMBL752783 0.72 ACACB (0.38) TSHRMAPK1
SCHEMBL754568 0.68 ACACB (0.40) LIPGMAPTSMN1; SMN2IDH1
SCHEMBL755270 0.65 HRH3 (0.38) LIPGIDH1USP2TSHR
SCHEMBL756649 0.64 KMO (0.47) POLBSMN1; SMN2USP2TSHRHSD17B10
SCHEMBL752280 0.64 LIPG (0.45) LIPGBACE1KCNH2TSHR
SCHEMBL753418 0.61 BACE1 (0.39) LIPGDAOBACE1MAOB
SCHEMBL752338 0.61 LIPG (0.39) LIPGBACE1POLBIDH1

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 3526/4885LIPG 3541/4885DAO 321/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI P2RX3 3021/4885LIPG 4229/4885DAO 347/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI P2RX3 3021/4885LIPG 4229/4885DAO 347/4885

“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.