SCHEMBL23779452

SCHEMBL23779452

COC(=O)c1cc(C)c(OC)nc1N1CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 16/20 0.47
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL23779571 0.88 JAK2 (0.42) KDM4ESMN1; SMN2KMT2AALDH1A1L3MBTL1
SCHEMBL23779558 0.85 OPRK1 (0.49) OPRK1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL21171745 0.75 OPRK1 (0.76) OPRK1KDM4EKMT2AALDH1A1L3MBTL1
SCHEMBL23779555 0.75 OPRK1 (0.49) OPRK1KDM4EKMT2AALDH1A1
SCHEMBL21171716 0.75 OPRK1 (0.73) OPRK1
SCHEMBL23779532 0.75 SCN10A (0.44) OPRK1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20878468 0.74 MAP3K5 (0.54) OPRK1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL23779674 0.73 HSD17B10 (0.40) OPRK1KDM4ENPSR1KMT2AALDH1A1
SCHEMBL31343813 0.73 SCN10A (0.62) OPRK1
SCHEMBL21170887 0.73 OPRK1 (0.76) OPRK1

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 OPRK1 372/4885KDM4E 3634/4885NPC1 210/4885

“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.