SCHEMBL25046007

SCHEMBL25046007

CC(C)[C@H]1CCN(C2COC2)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 9/20 0.33
DLK1 P80370 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL23337914 1.00 MAP3K12 (0.33) MAP3K12DLK1OPRM1OPRL1
SCHEMBL23554427 0.89 KAT2B (0.39)
SCHEMBL19807290 0.89 KAT2B (0.39)
SCHEMBL18099727 0.89 KAT2B (0.39)
SCHEMBL10119950 0.88 OPRM1 (0.38) MAP3K12OPRM1OPRL1
SCHEMBL20756869 0.87 KDM2B (0.33)
SCHEMBL27423217 0.84 TLR9 (0.34) OPRM1OPRL1
SCHEMBL20756242 0.83 OPRL1 (0.40) OPRM1OPRL1
SCHEMBL10119953 0.83 MAP3K12 (0.30) MAP3K12
SCHEMBL20756541 0.82 HRH3 (0.35) OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 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 (2 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-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK MAP3K12 92/4885DLK1 641/4885OPRM1 4786/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK MAP3K12 92/4885DLK1 641/4885OPRM1 4786/4885

“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.