SCHEMBL23992155

SCHEMBL23992155

CC(=O)NC1CC2(C1)CN(C(C)(C)C)C2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
SIGMAR1 Q99720 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
HSD11B1 P28845 1/20 0.30
HSD11B2 P80365 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
SCHEMBL18655793 0.79 ATM (0.37) ATMALDH1A1KDM4EALOX15CA1
SCHEMBL17886518 0.76 CYP2C19 (0.33) ATMALDH1A1CRHBPCRHR2
SCHEMBL19504478 0.75 CRHBP (0.31) CRHBPCRHR2
SCHEMBL10205020 0.75 ATM (0.42) ATMALDH1A1KDM4EALOX15CA1
SCHEMBL25538065 0.73 CRHBP (0.31) CRHBPCRHR2
SCHEMBL25923917 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10205072 0.72 EPHX2 (0.44) ATMALDH1A1KDM4ECA1CA2
SCHEMBL31493463 0.71 ALDH1A1 (0.41) ATMALDH1A1KDM4EALOX15CA1
SCHEMBL31493445 0.71 ALDH1A1 (0.41) ATMALDH1A1KDM4EALOX15CA1
SCHEMBL31493487 0.71 ATM (0.39) ATMALDH1A1KDM4EALOX15CA1

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-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 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-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B ATM 3187/4885ALDH1A1 2145/4885KDM4E 2973/4885

“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.