SCHEMBL26833404

SCHEMBL26833404

CC(C)(C)C1(O)CCCc2cccnc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
PDK2 Q15119 2/20 0.31
NR3C1 P04150 3/20 0.31
KCNQ2 O43526 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
F2 P00734 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM1A O60341 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
SCHEMBL22743961 0.90 OPRL1 (0.34) OPRL1PDK2FNTAFNTB
SCHEMBL26833427 0.90 OPRL1 (0.34) OPRL1PDK2FNTAFNTB
SCHEMBL23869928 0.90 OPRL1 (0.34) OPRL1PDK2FNTAFNTB
SCHEMBL2148122 0.79 OPRL1 (0.42) OPRL1SIGMAR1PDK2NR3C1FNTA
SCHEMBL23364947 0.76 CYP1A2 (0.39) OPRL1SIGMAR1NR3C1FNTAFNTB
SCHEMBL15894663 0.76 CYP1A2 (0.39) OPRL1SIGMAR1NR3C1FNTAFNTB
SCHEMBL26836231 0.76 OPRL1 (0.34) OPRL1PDK2
SCHEMBL15469382 0.74 CYP3A4 (0.34) OPRL1SIGMAR1PDK2FNTAFNTB
SCHEMBL23869975 0.73 DRD2 (0.33) OPRL1
SCHEMBL24125123 0.72 KDM1A (0.36) OPRL1SIGMAR1NR3C1F2KCNH2

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-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 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-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB OPRL1 3884/4885SIGMAR1 4693/4885PDK2 489/4885

“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.