SCHEMBL23779674

SCHEMBL23779674

COc1nc(N2CCCCCC2)c(C(=O)O)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
OPRK1 P41145 3/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 2/20 0.38
GAA P10253 1/20 0.38
CNR2 P34972 1/20 0.38
JAK2 O60674 1/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
DHODH Q02127 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PLAU P00749 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL23779558 0.88 OPRK1 (0.49) OPRK1KDM4ENPSR1
SCHEMBL23779571 0.85 JAK2 (0.42) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL11273173 0.82 ALDH1A1 (0.48) OPRK1ALDH1A1KDM4EHPGDGLA
SCHEMBL14931958 0.76 HSD17B10 (0.51) HSD17B10LCKFYNALDH1A1KDM4E
SCHEMBL1300271 0.75 HSD17B10 (0.47) HSD17B10LCKFYNALDH1A1KDM4E
SCHEMBL23779452 0.73 OPRK1 (0.47) OPRK1ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL4487727 0.73 KDM4E (0.52) HSD17B10ALDH1A1KDM4EHPGDGAA
SCHEMBL24291812 0.72 HSD17B10 (0.47) HSD17B10LCKFYNALDH1A1KDM4E
SCHEMBL29656639 0.72 HSD17B10 (0.47) HSD17B10LCKFYNALDH1A1KDM4E
SCHEMBL20569435 0.72 MAP3K5 (0.52) ALDH1A1KDM4EHPGDGLAGAA

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 HSD17B10 3818/4885OPRK1 372/4885LCK 1863/4885

“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.