SCHEMBL13559367

SCHEMBL13559367

CN[C@@H](c1ccccc1)[C@@H](C)CN1CCC(F)(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.37
CYP2D6 P10635 3/20 0.36
OPRL1 P41146 2/20 0.34
POLB P06746 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 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
SCHEMBL13559344 0.85 POLB (0.46) KDM4EALDH1A1GFERL3MBTL1GAA
SCHEMBL13559370 0.84 CYP2D6 (0.39) KDM4EALDH1A1GFERL3MBTL1GAA
SCHEMBL13559363 0.84 ALDH1A1 (0.46) KDM4EALDH1A1GFERL3MBTL1POLB
SCHEMBL16181767 0.84 POLB (0.45) KDM4EALDH1A1GFERL3MBTL1CYP2D6
SCHEMBL13559366 0.83 CYP1A2 (0.41) KDM4EALDH1A1GFERL3MBTL1GAA
SCHEMBL16181825 0.82 GAA (0.56) KDM4EALDH1A1GFERL3MBTL1GAA
SCHEMBL13559336 0.81 MEN1 (0.49) ALDH1A1CYP2D6POLB
SCHEMBL16181808 0.81 OPRM1 (0.43) KDM4EALDH1A1GFERL3MBTL1GAA
SCHEMBL13559355 0.81 KDM4E (0.40) KDM4EALDH1A1GFERL3MBTL1GAA
SCHEMBL13559348 0.81 SIGMAR1 (0.44) KDM4EALDH1A1GFERL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150073136-A1 PYRAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8889692-B2 Pyrazinone derivatives, pharmaceutically acceptance salts thereof and their uses ASTRAZENECA AB (SE) 2014-11-18 US disclosed
EP-2170848-B1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2014-10-22 EP disclosed
US-8299246-B2 N-cyclopropyl-3-fluoro-5-[3-[[1-[2-[2- [(2-hydroxethyl)amino] ethoxy]phenyl] cyclopropyl] amino]-2-oxo-1 (2H)-pyrazinyl]-4-methyl-benzamide, or pharmaceutically acceptable salts thereof and their uses ASTRAZENECA AB (SE) 2012-10-30 US 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-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 KDM4E 2253/4885ALDH1A1 466/4885GFER 2934/4885

“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.