SCHEMBL765402

SCHEMBL765402

CC(C)N1CC(C(=O)c2cnn(Cc3ccc(F)cc3)c2)=C(O)C1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.43
LMNA P02545 5/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KLKB1 P03952 4/20 0.37
KLK1 P06870 1/20 0.37
TCF4 P15884 1/20 0.37
CTNNB1 P35222 1/20 0.37
GRM2 Q14416 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL753666 0.86 LIPG (0.47) CREBBPLMNAMAPTALDH1A1HTT
SCHEMBL755691 0.78 NPSR1 (0.41) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL16921556 0.78 KDM4A (0.40) KLKB1GRM2
SCHEMBL751844 0.78 GPBAR1 (0.41) HTTGRM2RAB9A
SCHEMBL752814 0.76 CNR2 (0.44) ALDH1A1
SCHEMBL2779143 0.74 NPSR1 (0.39) LMNAMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL27285952 0.74 LMNA (0.55) CREBBPLMNAMAPTALDH1A1HTT
SCHEMBL752989 0.73 SMN1; SMN2 (0.42) LMNAALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL754559 0.73 LIPG (0.35) MAPTALDH1A1HSD17B10
SCHEMBL16908924 0.73 NPSR1 (0.35) LMNAMAPTALDH1A1SMN1; SMN2RAB9A

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 16 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-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 CREBBP 2557/4885LMNA 2825/4885MAPT 4635/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CREBBP 2807/4885LMNA 2945/4885MAPT 4426/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CREBBP 2807/4885LMNA 2945/4885MAPT 4426/4885

“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.