SCHEMBL23992147

SCHEMBL23992147

CC(=O)N1CC2(CC(NC(C)(C)C)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
KDM1A O60341 1/20 0.38
EPHX2 P34913 10/20 0.34
CD274 Q9NZQ7 2/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.34
EPHX1 P07099 4/20 0.33
PDCD1 Q15116 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CHRM4 P08173 1/20 0.30
CHRM1 P11229 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
SCHEMBL18315517 0.86 KDM1A (0.31) KDM1A
SCHEMBL26812225 0.79 SMN1; SMN2 (0.44) SMN1; SMN2KDM1AEPHX2CD274PDCD1LG2
SCHEMBL27080337 0.76 KDM1A (0.41) SMN1; SMN2KDM1AEPHX2CD274PDCD1LG2
SCHEMBL27172421 0.76 CTSK (0.43) EPHX2
SCHEMBL24007484 0.76 SMN1; SMN2 (0.44) SMN1; SMN2KDM1AEPHX2CD274PDCD1LG2
SCHEMBL19872412 0.75 CD274 (0.41) SMN1; SMN2KDM1AEPHX2CD274PDCD1LG2
SCHEMBL26232484 0.75 CHRNB2 (0.43) SMN1; SMN2EPHX2EPHX1KDM4E
SCHEMBL25543746 0.74 CYP2C19 (0.37)
SCHEMBL25624760 0.73
SCHEMBL25538065 0.73 CRHBP (0.31)

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 SMN1; SMN2 697/4885KDM1A 3015/4885EPHX2 2087/4885

“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.