SCHEMBL21452437

SCHEMBL21452437

CC(=O)N[C@H]1CC[C@H](NC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TLR4 O00206 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
FASN P49327 1/20 0.36
CCR2 P41597 3/20 0.35
CCR5 P51681 3/20 0.35
EPHX1 P07099 1/20 0.34
DRD2 P14416 1/20 0.34
KDM1A O60341 1/20 0.33
BTK Q06187 1/20 0.33
EPHX2 P34913 1/20 0.33
PKM P14618 1/20 0.33
CACNA1H O95180 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL21452633 1.00 ATM (0.46) ATMALDH1A1KDM4ETLR4MTNR1A
SCHEMBL12219598 1.00 ATM (0.46) ATMALDH1A1KDM4ETLR4MTNR1A
SCHEMBL21452445 0.92 ALDH1A1 (0.49) ATMALDH1A1KDM4ETLR4MTNR1A
SCHEMBL12928798 0.92 ALDH1A1 (0.49) ATMALDH1A1KDM4ETLR4MTNR1A
SCHEMBL21452446 0.92 ALDH1A1 (0.49) ATMALDH1A1KDM4ETLR4MTNR1A
SCHEMBL21452290 0.88 ATM (0.44) ATMALDH1A1KDM4ETLR4MTNR1A
SCHEMBL12928802 0.88 ATM (0.44) ATMALDH1A1KDM4ETLR4MTNR1A
SCHEMBL21452456 0.88 ATM (0.44) ATMALDH1A1KDM4ETLR4MTNR1A
SCHEMBL21452439 0.88 ATM (0.48) ATMALDH1A1KDM4ETLR4MTNR1A
SCHEMBL1811527 0.84 BTK (0.37) ALDH1A1EPHX1KDM1ABTKEPHX2

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 ATM 3187/4885ALDH1A1 2145/4885KDM4E 2973/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B ATM 3187/4885ALDH1A1 2145/4885KDM4E 2973/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B ATM 3182/4885ALDH1A1 2074/4885KDM4E 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.