SCHEMBL23643229

SCHEMBL23643229

CC(=O)C(C)Cc1cccc(CN)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.47
NOS2 P35228 5/20 0.47
NOS3 P29474 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
LOXL2 Q9Y4K0 3/20 0.46
ENPP2 Q13822 1/20 0.44
SLC7A5 Q01650 3/20 0.43
ANPEP P15144 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
PNMT P11086 2/20 0.40
GRIA2 P42262 1/20 0.39

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
SCHEMBL20041146 1.00 NOS1 (0.47) NOS1NOS2NOS3ALDH1A1SMN1; SMN2
SCHEMBL20272562 0.86 PLA2G10 (0.50) NOS1NOS2NOS3ALDH1A1SMN1; SMN2
SCHEMBL18500970 0.86 SLC7A5 (0.42) NOS1NOS2NOS3CYP3A4NFKB1
SCHEMBL27780403 0.85 KDM4E (0.46) NOS1NOS2NOS3SMN1; SMN2LOXL2
SCHEMBL2229499 0.83 ADRB2 (0.45) NOS1NOS2NOS3ALDH1A1SLC7A5
SCHEMBL5046404 0.82 LOXL2 (0.58) ALDH1A1LOXL2SLC7A5
SCHEMBL18402873 0.81 SLC7A5 (0.39) NOS1NOS2NOS3SLC7A5
SCHEMBL23643117 0.81 NOS1 (0.47) NOS1CYP3A4SLC7A5
SCHEMBL12185043 0.81 LOXL2 (0.45) NOS1NOS2NOS3ALDH1A1SMN1; SMN2
SCHEMBL17211514 0.81 GRIA2 (0.50) CYP3A4NFKB1ENPP2GRIA2

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 2468/4885NOS2 3802/4885NOS3 3270/4885
US-11306125-B2 PCSK9 antagonists bicyclo-compounds PCSK9, PCSK7, PCSK6 NOS1 2468/4885NOS2 3802/4885NOS3 3270/4885

“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.