SCHEMBL21452444

SCHEMBL21452444

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
BTK Q06187 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR4 O00206 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL21452455 1.00 ATM (0.46) ATMALDH1A1KDM4EBTKMEN1
SCHEMBL21452454 0.82 ATM (0.40) ATMALDH1A1KDM4EBTKMTNR1A
SCHEMBL22996466 0.77 ATM (0.50) ATMALDH1A1KDM4EMEN1KMT2A
SCHEMBL20654282 0.77 ATM (0.50) ATMALDH1A1KDM4EMEN1KMT2A
SCHEMBL21452828 0.77 ATM (0.50) ATMALDH1A1KDM4EMEN1KMT2A
SCHEMBL21452884 0.75 ATM (0.48) ATMALDH1A1KDM4EMEN1KMT2A
SCHEMBL21452886 0.75 ATM (0.48) ATMALDH1A1KDM4EMEN1KMT2A
SCHEMBL21424044 0.75 ATM (0.62) ATMALDH1A1KDM4EMEN1KMT2A
SCHEMBL13165905 0.75 ATM (0.62) ATMALDH1A1KDM4EMEN1KMT2A
SCHEMBL1900325 0.75 ATM (0.62) ATMALDH1A1KDM4EMEN1KMT2A

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.