SCHEMBL8434355

SCHEMBL8434355

CCNC(=O)CN[C@@H](C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.39
TSHR P16473 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MCL1 Q07820 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
BIRC2 Q13490 1/20 0.35
FAAH O00519 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
RAB9A P51151 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL706893 0.79
SCHEMBL706892 0.79
SCHEMBL13650458 0.79
SCHEMBL21017431 0.77 MCL1 (0.41) MEN1KMT2AMCL1CHRNB2CHRNB4
SCHEMBL8254754 0.76 CA14 (0.38) CA14TSHRMEN1KMT2AMAPT
SCHEMBL16790440 0.75 CA14 (0.45) CA14TSHRMEN1KMT2AL3MBTL1
SCHEMBL12826610 0.75 CA14 (0.45) CA14TSHRMEN1KMT2AL3MBTL1
SCHEMBL20928615 0.75 CA14 (0.45) CA14TSHRMEN1KMT2AL3MBTL1
SCHEMBL7432682 0.75 CA14 (0.45) CA14TSHRMEN1KMT2AL3MBTL1
SCHEMBL7429510 0.75 CA14 (0.45) CA14TSHRMEN1KMT2AL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 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 (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-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A CA14 4530/4885TSHR 818/4885MEN1 3926/4885

“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.