SCHEMBL23643109

SCHEMBL23643109

CCc1ccc(C[C@H](C)C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
ALDH1A1 P00352 1/20 0.45
ACACB O00763 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
PLAU P00749 1/20 0.42
IDO1 P14902 2/20 0.41
PLK1 P53350 1/20 0.41
ALOX5 P09917 2/20 0.41
CHRM2 P08172 1/20 0.41
CYP2D6 P10635 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD3 P35462 1/20 0.41
OPRD1 P41143 1/20 0.41
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL22593510 0.84 EPHX1 (0.50) EPHX1ACACBPPARGPPARAIDO1
SCHEMBL22937469 0.84 EPHX1 (0.50) EPHX1ALDH1A1ALOX5TAAR1SLC6A2
SCHEMBL12118748 0.84 EPHX1 (0.50) EPHX1ACACBPPARGPPARAIDO1
SCHEMBL23643108 0.84 EPHX1 (0.50) EPHX1SMN1; SMN2ALOX5TAAR1SLC6A2
SCHEMBL14032489 0.84 TAAR1 (0.59) EPHX1SMN1; SMN2TAAR1CA2SLC6A2
SCHEMBL13248740 0.84 TAAR1 (0.59) EPHX1SMN1; SMN2TAAR1CA2SLC6A2
SCHEMBL934530 0.84 TAAR1 (0.59) EPHX1SMN1; SMN2TAAR1CA2SLC6A2
SCHEMBL13643239 0.82 EPHX1 (0.57) EPHX1ACACBSMN1; SMN2ALOX5
SCHEMBL14236735 0.82 EPHX1 (0.49) EPHX1ALDH1A1SMN1; SMN2CA2
SCHEMBL14672779 0.82 EPHX1 (0.58) EPHX1ACACBIDO1ALOX5LMNA

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-11306125-B2 PCSK9 antagonists bicyclo-compounds MERCK SHARP & DOHME CORP. (US) 2022-04-19 US disclosed
US-20210214395-A1 PCSK9 ANTAGONISTS BICYCLO-COMPOUNDS MERCK SHARP & DOHME LLC 2021-07-15 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 (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-20210214395-A1 PCSK9 ANTAGONISTS BICYCLO-COMPOUNDS PCSK9, PCSK7, PCSK6 EPHX1 988/4885ALDH1A1 4478/4885ACACB 472/4885
US-11306125-B2 PCSK9 antagonists bicyclo-compounds PCSK9, PCSK7, PCSK6 EPHX1 988/4885ALDH1A1 4478/4885ACACB 472/4885

“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.