SCHEMBL751257

SCHEMBL751257

CC(=O)c1oc(C(=O)OC(C)(C)C)cc1Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 3/20 0.36
GPR55 Q9Y2T6 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MAPK14 Q16539 1/20 0.35
CNR1 P21554 1/20 0.35
MAOB P27338 4/20 0.35
MAOA P21397 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
GRM2 Q14416 2/20 0.33
NR1D1 P20393 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 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
SCHEMBL754386 0.90 PDE3B (0.38) MTNR1AMTNR1BNPSR1CNR2GPR55
SCHEMBL18531663 0.89 MAPK14 (0.44) MTNR1AMTNR1BNPSR1CNR2GPR55
SCHEMBL753008 0.84 NPSR1 (0.35) MTNR1AMTNR1BNPSR1CNR2GPR55
SCHEMBL753007 0.83 MAPK14 (0.35) MTNR1AMTNR1BNPSR1CNR2GPR55
SCHEMBL753713 0.82 MEN1 (0.43) NPSR1CNR2GPR55MAPK14CNR1
SCHEMBL753309 0.81 CNR2 (0.40) CNR2GPR55CNR1MAOB
SCHEMBL765758 0.78 CNR2 (0.37) NPSR1CNR2GPR55MAPK14CNR1
SCHEMBL755219 0.77 CNR2 (0.44) NPSR1CNR2GPR55PDE3BPDE3A
SCHEMBL755038 0.76 POLB (0.40) CNR2GPR55PDE3BPDE3AKMT2A
SCHEMBL10290270 0.74 CNR2 (0.39) NPSR1CNR2GPR55CNR1MAOB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MTNR1A 1749/4885MTNR1B 2812/4885NPSR1 4131/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MTNR1A 1749/4885MTNR1B 2812/4885NPSR1 4131/4885

“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.