SCHEMBL1677157

SCHEMBL1677157

N#CC(c1ccc(OC(F)(F)F)cc1)N1CCC(ON2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRK1 P41145 2/20 0.37
SCN9A Q15858 2/20 0.37
SCN5A Q14524 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 1/20 0.36
CHRM2 P08172 4/20 0.35
CHRM1 P11229 4/20 0.35
CHRM4 P08173 3/20 0.35
CHRM3 P20309 2/20 0.35
CHRM5 P08912 1/20 0.35
ACHE P22303 1/20 0.35
MMP13 P45452 1/20 0.35
KCNH2 Q12809 1/20 0.35
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
HCRTR1 O43613 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
SCHEMBL1677022 0.75 MEN1 (0.55) MEN1KMT2ASCN9AMMP2MMP13
SCHEMBL1677083 0.75 SLC6A9 (0.46) OPRM1MEN1KMT2AOPRK1SCN9A
SCHEMBL1677055 0.72 MEN1 (0.42) OPRM1MEN1KMT2AOPRK1CHRM2
SCHEMBL18274512 0.71 ALDH1A1 (0.68) MEN1KMT2AALDH1A1ACHE
SCHEMBL26931611 0.69 GAA (0.46) OPRM1MEN1KMT2AALDH1A1CHRM2
SCHEMBL30728974 0.69 GAA (0.46) OPRM1MEN1KMT2AALDH1A1CHRM2
SCHEMBL9388337 0.67 ACHE (0.53) OPRM1MEN1KMT2AALDH1A1CHRM2
SCHEMBL15452482 0.67 GAA (0.39) OPRM1MEN1KMT2AALDH1A1CHRM2
SCHEMBL24130978 0.66 ALDH1A1 (0.43) OPRM1MEN1KMT2AALDH1A1CHRM2
SCHEMBL30002131 0.66 ALDH1A1 (0.47) OPRM1KMT2AALDH1A1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518934-B2 Oxycarbamoyl compounds and the use thereof SHONOGI & CO., LTD. (JP) 2013-08-27 US disclosed
EP-2346820-B1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-02-13 EP disclosed
EP-2346820-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF Shionogi & Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2011-04-28 US disclosed
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 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-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF CACNA1B, ORAI1, CACNA1I OPRM1 41/4885MEN1 4208/4885KMT2A 4121/4885

“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.