SCHEMBL23779573

SCHEMBL23779573

CCOC(=O)c1cnc(C2CC2)nc1N1CCCC(F)(F)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 9/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
FOS P01100 1/20 0.46
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CSNK1D P48730 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 2/20 0.41
PDE4B Q07343 2/20 0.41
CHRM3 P20309 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
OPRK1 P41145 2/20 0.40

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
SCHEMBL23779521 0.84 SCN10A (0.59) SCN10APDE4BCHRM3PDE4APDE4C
SCHEMBL20098549 0.81 ALOX15 (0.60) MEN1KMT2AFOSJUNNFKB1
SCHEMBL25391462 0.75 MAPT (0.51) MEN1KMT2AFOSJUNNFKB1
SCHEMBL30570313 0.75 MAPT (0.51) MEN1KMT2AFOSJUNNFKB1
SCHEMBL31105854 0.75 OPRK1 (0.44) SCN10AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL30562589 0.75 SCN10A (0.56) SCN10AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL25389959 0.75 SCN10A (0.56) SCN10AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL31105737 0.75 MEN1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1OPRK1
SCHEMBL30681905 0.74 MEN1 (0.44) SCN10AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL31345633 0.74 MEN1 (0.44) SCN10AMEN1KMT2AL3MBTL1ALDH1A1

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-20220119363-A1 2-AMINO-N-PHENYL-NICOTINAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-04-21 US disclosed
EP-3873468-A1 2-AMINO-N-PHENYL-NICOTINAMIDES AS NAV1.8 INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-09-08 EP 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-20220119363-A1 2-AMINO-N-PHENYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, TRPV1, SCN2A SCN10A 8/4885MEN1 4464/4885KMT2A 2178/4885

“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.