SCHEMBL756137

SCHEMBL756137

CON(C)C(=O)CCNC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.40
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
CXCR4 P61073 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL754816 0.98 EPHX2 (0.42) EPHX2NPSR1ALDH1A1KDM4ETDP1
SCHEMBL751989 0.93 EPHX2 (0.32) EPHX2ALDH1A1KDM4ETDP1
SCHEMBL5002679 0.83 KDM4E (0.41) EPHX2NPSR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4999188 0.81 KDM4E (0.43) EPHX2NPSR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4999703 0.79 KDM4E (0.38) EPHX2NPSR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL619500 0.77 EPHX2 (0.62) EPHX2NPSR1ALDH1A1KDM4ECXCR4
SCHEMBL16473262 0.75 EPHX2 (0.65) EPHX2NPSR1ALDH1A1KDM4ECXCR4
SCHEMBL1202915 0.75 EPHX2 (0.65) EPHX2NPSR1ALDH1A1KDM4ECXCR4
SCHEMBL12931771 0.75 EPHX2 (0.65) EPHX2NPSR1ALDH1A1KDM4ECXCR4
SCHEMBL16741511 0.74 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1CXCR4TAAR1

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 10 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-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 EPHX2 1199/4885NPSR1 4178/4885ALDH1A1 658/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI EPHX2 1026/4885NPSR1 4131/4885ALDH1A1 424/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI EPHX2 1026/4885NPSR1 4131/4885ALDH1A1 424/4885

“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.