SCHEMBL5347253

SCHEMBL5347253

CN1CCC(=O)[C@H](ONc2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GFER P55789 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ACHE P22303 2/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
THPO P40225 1/20 0.33

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
SCHEMBL14369913 0.78 TACR1 (0.53) RAB9AALDH1A1ACHENPC1MEN1
SCHEMBL5528790 0.76 ALDH1A1 (0.40) KDM4ERAB9AALDH1A1GFER
SCHEMBL14369911 0.76 GPR119 (0.46) KDM4E
SCHEMBL14369908 0.76 ALDH1A1 (0.41) KDM4ERAB9AALDH1A1GFERNPC1
SCHEMBL14369909 0.76 ALDH1A1 (0.41) KDM4ERAB9AALDH1A1GFERNPC1
SCHEMBL5528287 0.73 ALDH1A1 (0.44) KDM4ERAB9AALDH1A1GFERNPC1
SCHEMBL17543072 0.72 MALT1 (0.32)
SCHEMBL5336920 0.72 KDM4E (0.49) KDM4ERAB9AALDH1A1NPC1
SCHEMBL809416 0.72 KDM4E (0.49) KDM4ERAB9AALDH1A1NPC1
SCHEMBL814580 0.72 KDM4E (0.49) KDM4ERAB9AALDH1A1NPC1

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-7279601-B2 Optically active α-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2007-10-09 US disclosed
US-7279601-B2 Optically active α-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2007-10-09 US disclosed
US-7279601-B2 Optically active α-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2007-10-09 US disclosed
US-20060293525-A1 Optically active alpha-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2006-12-28 US disclosed
EP-1661885-A1 OPTICALLY ACTIVE ALPHA-AMINOOXYKETONE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Tokyo University of Science (JP) 2006-05-31 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 (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-20060293525-A1 Optically active alpha-aminooxyketone derivatives and process for production thereof ALDH7A1, ASPH, KMO CHRM4 3504/4885CHRM3 2691/4885CHRM5 3476/4885

“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.