SCHEMBL21452289

SCHEMBL21452289

CC(=O)NC[C@H](C)CNC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.36
MTNR1B P49286 5/20 0.36
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL10245496 1.00 MTNR1A (0.36) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL23992181 1.00 MTNR1A (0.36) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL10062233 0.84 MTNR1A (0.44) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL9407517 0.79 LMNA (0.37) HIF1A
SCHEMBL21231186 0.77 MTNR1A (0.37) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL21452804 0.76 MTNR1A (0.39) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL21452803 0.76 MTNR1A (0.39) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL13779167 0.76 MTNR1A (0.39) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL21452806 0.76 MTNR1A (0.39) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL13918161 0.76 MTNR1A (0.39) MTNR1AMTNR1BKDM4EMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 US disclosed
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 US disclosed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 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 (3 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-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B MTNR1A 276/4885MTNR1B 178/4885KDM4E 2973/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B MTNR1A 276/4885MTNR1B 178/4885KDM4E 2973/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B MTNR1A 275/4885MTNR1B 171/4885KDM4E 3194/4885

“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.