SCHEMBL23643117

SCHEMBL23643117

CNCc1cccc(C[C@H](C)C(C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.47
SLC7A5 Q01650 2/20 0.42
PRMT6 Q96LA8 6/20 0.41
CYP3A4 P08684 2/20 0.41
FFAR1 O14842 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CYP19A1 P11511 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 1/20 0.40
TSHR P16473 1/20 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
SCHEMBL14610980 0.89 FFAR1 (0.52) NOS1SLC7A5CYP3A4FFAR1KDM4E
SCHEMBL18500970 0.84 SLC7A5 (0.42) NOS1SLC7A5CYP3A4TSHR
SCHEMBL23643105 0.83 SLC7A5 (0.52) NOS1SLC7A5
SCHEMBL23643229 0.81 NOS1 (0.47) NOS1SLC7A5CYP3A4
SCHEMBL20041146 0.81 NOS1 (0.47) NOS1SLC7A5CYP3A4
SCHEMBL31688766 0.81 SLC7A5 (0.65) NOS1SLC7A5KDM4E
SCHEMBL18402873 0.80 SLC7A5 (0.39) NOS1SLC7A5TSHR
SCHEMBL24899382 0.79 MAOB (0.45) MAPTMEN1KMT2A
SCHEMBL9631293 0.79 MAOB (0.45) MAPTMEN1KMT2A
SCHEMBL17211514 0.79 GRIA2 (0.50) CYP3A4KDM4EKMT2A

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 NOS1 2468/4885SLC7A5 1980/4885PRMT6 1472/4885
US-11306125-B2 PCSK9 antagonists bicyclo-compounds PCSK9, PCSK7, PCSK6 NOS1 2468/4885SLC7A5 1980/4885PRMT6 1472/4885

“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.