SCHEMBL755124

SCHEMBL755124

O=C(C1=C(O)C(=O)N(CCN2CCCCC2)C1)c1ccc(Cc2ccc(F)cc2)o1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
LIPG Q9Y5X9 3/20 0.39
HRH3 Q9Y5N1 3/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
MCHR1 Q99705 3/20 0.37
PARP1 P09874 1/20 0.36
HTR2C P28335 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PPARG P37231 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
CACNA1G O43497 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL765857 0.92 LIPG (0.47) LIPGALDH1A1POLBPARP1PPARG
SCHEMBL754447 0.86 LIPG (0.41) LIPGALDH1A1POLBTSHR
SCHEMBL754217 0.85 LIPG (0.40) LIPGALDH1A1POLBRXFP1TSHR
SCHEMBL752965 0.85 LIPG (0.41) LIPGALDH1A1POLBTSHR
SCHEMBL2489852 0.84 LIPG (0.44) LIPGALDH1A1POLBKDM4E
SCHEMBL2486832 0.83 ALDH1A1 (0.41) LIPGALDH1A1POLBTSHR
SCHEMBL752862 0.83 LIPG (0.41) LIPGALDH1A1POLBPARP1KDM4E
SCHEMBL752899 0.81 LIPG (0.51) LIPGALDH1A1POLBTSHR
SCHEMBL754682 0.81 ALDH1A1 (0.39) LIPGALDH1A1POLBRXFP1TSHR
SCHEMBL753279 0.81 ALDH1A1 (0.46) LIPGALDH1A1POLB

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 DRD2 1606/4885DRD3 1379/4885LIPG 3541/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI DRD2 2096/4885DRD3 1751/4885LIPG 4229/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI DRD2 2096/4885DRD3 1751/4885LIPG 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.