SCHEMBL754479

SCHEMBL754479

CC(C)N1CC(C(=O)c2oc(Cc3ccc(F)cc3)cc2Cc2ccc(F)cc2)=C(O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
GPR55 Q9Y2T6 2/20 0.37
LIPG Q9Y5X9 6/20 0.36
HSP90AA1 P07900 1/20 0.34
CNR1 P21554 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
FPR1 P21462 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL753966 0.90 CNR2 (0.37) CNR2GPR55LIPGHSP90AA1CNR1
SCHEMBL752850 0.88 LIPG (0.47) CNR2GPR55LIPGHSP90AA1
SCHEMBL752760 0.87 NPSR1 (0.35) CNR2GPR55LIPGHSP90AA1NPSR1
SCHEMBL752004 0.84 ALDH1A1 (0.40) CNR2GPR55LIPGNPSR1ALDH1A1
SCHEMBL753282 0.84 LIPG (0.37) CNR2GPR55LIPGHSP90AA1NPSR1
SCHEMBL754559 0.81 LIPG (0.35) LIPGHSP90AA1ALDH1A1POLB
SCHEMBL16908924 0.80 NPSR1 (0.35) LIPGNPSR1ALDH1A1POLBRXFP1
SCHEMBL753520 0.78 LIPG (0.38) CNR2GPR55LIPGHSP90AA1NPSR1
SCHEMBL754318 0.78 LIPG (0.36) CNR2GPR55LIPGHSP90AA1NPSR1
SCHEMBL18633315 0.78 POLB (0.39) CNR2GPR55LIPGNPSR1ALDH1A1

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 CNR2 4345/4885GPR55 3514/4885LIPG 3541/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CNR2 3965/4885GPR55 2647/4885LIPG 4229/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CNR2 3965/4885GPR55 2647/4885LIPG 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.