SCHEMBL23869801

SCHEMBL23869801

CC(C)[C@@]1(O)CCCN(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
EHMT2 Q96KQ7 2/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
LIPE Q05469 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
SCHEMBL23794083 1.00 GRIN1 (0.37) GRIN1GRIN2ABRD4BRD2EHMT2
SCHEMBL23869808 1.00 GRIN1 (0.37) GRIN1GRIN2ABRD4BRD2EHMT2
SCHEMBL23869994 0.88 GRIN1 (0.33) GRIN1GRIN2A
SCHEMBL22744626 0.88 GRIN1 (0.33) GRIN1GRIN2A
SCHEMBL23869974 0.88 GRIN1 (0.33) GRIN1GRIN2A
SCHEMBL19174271 0.74 GRIN1 (0.40) GRIN1GRIN2ABRD4BRD2EHMT2
SCHEMBL23168692 0.74 GRIN1 (0.40) GRIN1GRIN2ABRD4BRD2EHMT2
SCHEMBL25900548 0.70 GRIN1 (0.36) GRIN1GRIN2ABRD4BRD2
SCHEMBL23794163 0.69 GRIN1 (0.37) GRIN1GRIN2ABRD4BRD2EHMT2
SCHEMBL25913911 0.69 GRIN1 (0.37) GRIN1GRIN2ABRD4BRD2EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2022-02-22 US disclosed
US-20210300918-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 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-20210300918-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB GRIN1 4394/4885GRIN2A 4803/4885BRD4 597/4885
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB GRIN1 4394/4885GRIN2A 4803/4885BRD4 597/4885
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase NFKBIA, IKBKB, CHUK GRIN1 4309/4885GRIN2A 4795/4885BRD4 481/4885

“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.