SCHEMBL7686445

SCHEMBL7686445

COC(=O)CC(C[N+](=O)[O-])C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.39
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MMP2 P08253 4/20 0.34
MMP1 P03956 2/20 0.34
MMP3 P08254 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
EPHX1 P07099 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL17977029 0.85 CPN1 (0.33) MMP2MMP1MMP3
SCHEMBL14861661 0.85 GAA (0.31) GLA
SCHEMBL14862424 0.84 MEN1 (0.30) EPHX2
SCHEMBL14861752 0.83 MAPT (0.30)
SCHEMBL17977048 0.82 MAPT (0.32) MMP2MMP1MMP3
SCHEMBL14862426 0.78 HPGD (0.38) ALDH1A1LMNAHPGD
SCHEMBL27818840 0.78 ALDH1A1 (0.64) EPHX2ALDH1A1NPSR1MMP2CA12
SCHEMBL17979128 0.77 EPHX1 (0.41) ALDH1A1MMP2MMP1MMP3EPHX1
SCHEMBL14535008 0.77 CTSK (0.35) EPHX2GLA
SCHEMBL11319719 0.76 EPHX2 (0.41) EPHX2ALDH1A1NPSR1MMP2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180237441-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-08-23 US disclosed
CN-108349984-A The derivative of 1- Phenylpyrrolidine -2- ketone as PERK inhibitor 葛兰素史密斯克莱知识产权(第2 号)有限公司 2018-07-31 CN disclosed
EP-3350185-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2018-07-25 EP disclosed
WO-2017046737-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed
WO-2017046737-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed
US-6492392-B1 INHIBITING TUMOR CELL PROLIFERATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-10 US disclosed
WO-2001085716-A1 2-PIPERIDONE COMPOUNDS FOR THE TREATMENT OF CANCER KYOWA HAKKO KOGYO CO., LTD (JP) 2001-11-15 WO 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 (1 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-20180237441-A1 Chemical Compounds PSEN1, IRS1, CPT1A EPHX2 4030/4885ALDH1A1 3289/4885GLA 4117/4885

“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.