SCHEMBL13985382

SCHEMBL13985382

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.50
ALDH1A1 P00352 2/20 0.48
ACHE P22303 3/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRNA7 P36544 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MTOR P42345 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL13559366 0.89 CYP1A2 (0.41) SIGMAR1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13559342 0.87 KCNA3 (0.51) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL13559344 0.85 POLB (0.46) ALDH1A1CYP3A4CYP2D6KDM4EHTT
SCHEMBL13559365 0.85 CCR5 (0.42) CYP1A2CYP3A4CYP2D6NFKB1MAPK1
SCHEMBL13559360 0.85 CYP1A2 (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL13559351 0.84 CYP1A2 (0.38) SIGMAR1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL16181767 0.84 POLB (0.45) ALDH1A1MEN1KMT2ACYP2D6KDM4E
SCHEMBL16181825 0.82 GAA (0.56) SIGMAR1ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL16181811 0.82 KCNA3 (0.52) CYP2D6KDM4E
SCHEMBL16181809 0.82 KMT2A (0.51) ALDH1A1MEN1KMT2AKDM4EHPGD

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
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 SIGMAR1 349/4885ALDH1A1 466/4885ACHE 1633/4885

“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.