SCHEMBL1929294

SCHEMBL1929294

CC(C)(C)OC(=O)NCCCCCCCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 1/20 0.60
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 1/20 0.57
SIGMAR1 Q99720 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL1930614 1.00 NR2F2 (0.60) NR2F2RAB9AALDH1A1SIGMAR1TDP1
SCHEMBL828909 0.91 SIGMAR1 (0.64) NR2F2RAB9AALDH1A1SIGMAR1TDP1
SCHEMBL13799649 0.89 SIGMAR1 (0.65) NR2F2RAB9AALDH1A1SIGMAR1TDP1
SCHEMBL17742668 0.88 SIGMAR1 (0.58) NR2F2RAB9AALDH1A1SIGMAR1TDP1
SCHEMBL4422293 0.87 SIGMAR1 (0.55) NR2F2RAB9AALDH1A1SIGMAR1TDP1
SCHEMBL14542604 0.85 TDP1 (0.52) NR2F2RAB9AALDH1A1SIGMAR1TDP1
SCHEMBL25148116 0.85 SIGMAR1 (0.53) NR2F2RAB9AALDH1A1SIGMAR1TDP1
SCHEMBL9547316 0.84 NR2F2 (0.47) NR2F2RAB9AALDH1A1SIGMAR1MEN1
SCHEMBL11992513 0.84 SIGMAR1 (0.53) NR2F2RAB9AALDH1A1SIGMAR1TDP1
SCHEMBL9358258 0.84 GLA (0.54) NR2F2RAB9AALDH1A1SIGMAR1TDP1

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-7956059-B2 Aliphatic amide and ester pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2011-06-07 US disclosed
US-20090227594-A1 ALIPHATIC AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. 2009-09-10 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-20090227594-A1 ALIPHATIC AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS KCNH2, CACNA1B, SCNN1G NR2F2 4237/4885RAB9A 1264/4885ALDH1A1 1322/4885

“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.