SCHEMBL1065805

SCHEMBL1065805

CC(C)(C)OC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.50
SIGMAR1 Q99720 2/20 0.47
KMT2A Q03164 2/20 0.46
SRC P12931 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TEAD1 P28347 1/20 0.44
DRD4 P21917 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
NPY1R P25929 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 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
SCHEMBL1065804 1.00 SCN9A (0.50) SCN9ASIGMAR1KMT2ASRCPOLB
SCHEMBL7718985 0.87 NPY1R (0.45) SCN9ASIGMAR1KMT2ANPY1R
SCHEMBL7718989 0.87 NPY1R (0.45) SCN9ASIGMAR1KMT2ANPY1R
SCHEMBL6818563 0.85 KMT2A (0.56) SCN9AKMT2ASRCNPY1R
SCHEMBL7936884 0.85 KMT2A (0.56) SCN9AKMT2ASRCNPY1R
SCHEMBL7927436 0.85 KMT2A (0.56) SCN9AKMT2ASRCNPY1R
SCHEMBL2332156 0.83 FNTA (0.46) KMT2ANPY1R
SCHEMBL7714189 0.82 KMT2A (0.46) KMT2APOLBALDH1A1KDM4ENPY1R
SCHEMBL7714192 0.82 KMT2A (0.46) KMT2APOLBALDH1A1KDM4ENPY1R
SCHEMBL31291922 0.81 SCN9A (0.45) SCN9AKMT2ASRC

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-20130289086-A1 Aminopyrrolidinone Derivatives and Uses Thereof DUGGAN MARK E (US) 2013-10-31 US disclosed
US-8252829-B2 Aminopyrrolidinone derivatives and uses thereof LINK MEDICINE CORPORATION (US) 2012-08-28 US disclosed
EP-2438059-A1 AMINOPYRROLIDINONE DERIVATIVES AND USES THEREOF Link Medicine Corporation (US) 2012-04-11 EP disclosed
US-20110021590-A1 AMINOPYRROLIDINONE DERIVATIVES AND USES THEREOF LINK MEDICINE CORPORATION (US) 2011-01-27 US disclosed
WO-2010141932-A1 AMINOPYRROLIDINONE DERIVATIVES AND USES THEREOF LINK MEDICINE CORPORATION (US) 2010-12-09 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 (2 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-20130289086-A1 Aminopyrrolidinone Derivatives and Uses Thereof PRMT1, PRMT5, AGTR2 SCN9A 3212/4885SIGMAR1 2198/4885KMT2A 610/4885
US-20110021590-A1 AMINOPYRROLIDINONE DERIVATIVES AND USES THEREOF PRMT1, PRMT5, AGTR2 SCN9A 3212/4885SIGMAR1 2198/4885KMT2A 610/4885

“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.