SCHEMBL9607830

SCHEMBL9607830

O=C1CCC(=O)N1C(OO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 1/20 0.39
SLC1A2 P43004 1/20 0.39
ATM Q13315 1/20 0.38
PARL Q9H300 3/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
CYP2D6 P10635 1/20 0.33
ALOX12 P18054 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
SCHEMBL15581083 0.75 ALDH1A1 (0.47) ALDH1A1PKMCHRM2CHRM4CHRM5
SCHEMBL9632134 0.72 LMNA (0.53) ALDH1A1PKMCHRM2CHRM4CHRM5
SCHEMBL29021266 0.71 CHRM2 (0.39) ALDH1A1PKMCHRM2CHRM4CHRM5
SCHEMBL7933823 0.71 ALDH1A1 (0.43) ALDH1A1PKMCHRM2CHRM4CHRM5
SCHEMBL40439 0.71 ALDH1A1 (0.53) ALDH1A1PKMCHRM2CHRM4CHRM5
SCHEMBL22207807 0.69 ALDH1A1 (0.46) ALDH1A1PKMCHRM2CHRM4CHRM5
SCHEMBL6319092 0.68 LMNA (0.52) ALDH1A1PKMKMT2ASLC1A2ATM
SCHEMBL6929886 0.67 ALDH1A1 (0.43) ALDH1A1PKMCHRM2CHRM4CHRM5
SCHEMBL29000169 0.66 KMT2A (0.50) ALDH1A1PKMCHRM2CHRM4CHRM5
SCHEMBL7933681 0.65 ALDH1A1 (0.42) ALDH1A1PKMCHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664392-B2 Pyrazine derivatives for bioconjugation Medibeacon, LLC (US) 2014-03-04 US disclosed
US-20120134930-A1 Pyrazine Derivatives for Bioconjugation MALLINCKRODT LLC (US) 2012-05-31 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-20120134930-A1 Pyrazine Derivatives for Bioconjugation PRXL2A, F12, ANXA5 ALDH1A1 104/4885PKM 1213/4885CHRM2 1240/4885

“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.