SCHEMBL13559347

SCHEMBL13559347

CN[C@@H](c1ccccc1)[C@@H](C)CNCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.43
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2A P28223 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP3A4 P08684 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA1A P35348 1/20 0.39
AOC3 Q16853 1/20 0.39
RGS12 O14924 1/20 0.39
GLA P06280 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
ADRA2C P18825 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39

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
SCHEMBL13559361 0.81 BCHE (0.44) TAAR1KDM4EL3MBTL1HTR2ACYP2C19
SCHEMBL13559359 0.79 HTR2A (0.42) TAAR1KDM4EHTR2ACHRM2ADRA1A
SCHEMBL13559341 0.77 CHRM2 (0.42) TAAR1HTR2ACYP2C19CYP3A4CHRM2
SCHEMBL13076694 0.77 ATP1A1 (0.47) TAAR1HTR2ACYP2C19CYP3A4CHRM2
SCHEMBL23374639 0.77 GRIN1 (0.55) TAAR1KDM4EL3MBTL1HTR2ACYP2C19
SCHEMBL2608085 0.76 DPP4 (0.46) TAAR1KDM4EL3MBTL1CYP3A4AOC3
SCHEMBL13559371 0.75 KDM4E (0.42) TAAR1KDM4EL3MBTL1CYP2D6MEN1
SCHEMBL2542748 0.73 CYP3A4 (0.56) TAAR1KDM4EHTR2ACYP2C19CYP3A4
SCHEMBL5475480 0.73 CYP3A4 (0.56) TAAR1KDM4EHTR2ACYP2C19CYP3A4
SCHEMBL12260224 0.73 CYP3A4 (0.56) TAAR1KDM4EHTR2ACYP2C19CYP3A4

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 TAAR1 1677/4885KDM4E 2253/4885L3MBTL1 4427/4885

“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.