Sugi Predict

Sugi Predict / Compounds / SCHEMBL13559342

SCHEMBL13559342

SCHEMBL13559342

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.51
▸ CYP2D6 P10635 4/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ GRIN3A Q8TCU5 1/20 0.43
▸ OPRK1 P41145 4/20 0.42
▸ CARM1 Q86X55 2/20 0.42
▸ PRMT6 Q96LA8 2/20 0.42

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
SCHEMBL16181811 0.92 KCNA3 (0.52) KCNA3CYP2D6OPRK1OPRM1OPRD1
SCHEMBL13559366 0.87 CYP1A2 (0.41) CYP2D6CYP1A2CYP3A4NFKB1MAPK1
SCHEMBL13985382 0.87 SIGMAR1 (0.50) CYP2D6CYP1A2CYP3A4NFKB1MAPK1
SCHEMBL13559360 0.86 CYP1A2 (0.46) CYP2D6CYP1A2CYP3A4NFKB1MAPK1
SCHEMBL13559352 0.84 KDM4E (0.62) KCNA3CYP2D6MAPK1OPRK1OPRM1
SCHEMBL13559354 0.84 KDM4E (0.62) KCNA3CYP2D6MAPK1OPRK1OPRM1
SCHEMBL13559344 0.84 POLB (0.46) CYP2D6CYP3A4OPRK1KDM4EALDH1A1
SCHEMBL13559365 0.84 CCR5 (0.42) CYP2D6CYP1A2CYP3A4NFKB1MAPK1
SCHEMBL16181809 0.83 KMT2A (0.51) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL13559351 0.83 CYP1A2 (0.38) CYP2D6CYP1A2CYP3A4NFKB1MAPK1

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-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
WO-2009001132-A1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2008-12-31 — — 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-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 KCNA3 789/4885CYP2D6 3/4885CYP1A2 9/4885

“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.