SCHEMBL23643108

SCHEMBL23643108

C[C@@H](Cc1ccc(CN)cc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
LOXL2 Q9Y4K0 2/20 0.44
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 1/20 0.44
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABAT P80404 1/20 0.41
TPSAB1 Q15661 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
ALOX5 P09917 1/20 0.41
F10 P00742 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
SCHEMBL27780403 0.84 KDM4E (0.46) EPHX1LOXL2TAAR1SLC6A2NOS3
SCHEMBL14032489 0.84 TAAR1 (0.59) EPHX1TAAR1SLC6A2SMN1; SMN2
SCHEMBL12118748 0.84 EPHX1 (0.50) EPHX1TAAR1ALOX5
SCHEMBL23643109 0.84 EPHX1 (0.50) EPHX1TAAR1SLC6A2SMN1; SMN2ALOX5
SCHEMBL16017643 0.84 TBXAS1 (0.51) LOXL2TAAR1SLC6A2KDM4ESMN1; SMN2
SCHEMBL28052529 0.84 TBXAS1 (0.51) LOXL2TAAR1SLC6A2KDM4ESMN1; SMN2
SCHEMBL934530 0.84 TAAR1 (0.59) EPHX1TAAR1SLC6A2SMN1; SMN2
SCHEMBL22593510 0.84 EPHX1 (0.50) EPHX1TAAR1ALOX5
SCHEMBL22937469 0.84 EPHX1 (0.50) EPHX1TAAR1SLC6A2ALOX5
SCHEMBL13248740 0.84 TAAR1 (0.59) EPHX1TAAR1SLC6A2SMN1; SMN2

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 988/4885LOXL2 2970/4885TAAR1 3617/4885
US-11306125-B2 PCSK9 antagonists bicyclo-compounds PCSK9, PCSK7, PCSK6 EPHX1 988/4885LOXL2 2970/4885TAAR1 3617/4885

“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.