SCHEMBL14599403

SCHEMBL14599403

CB(C)c1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.33
KCNA3 P22001 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL369213 0.83 CA4 (0.39) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL21233040 0.77 KDM4E (0.39) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL2800661 0.75 CNR1 (0.34)
SCHEMBL22951252 0.75 KCNN4 (0.35) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL16663363 0.74 KCNN4 (0.41) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL70574 0.73 L3MBTL1 (0.44) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL69872 0.73 KCNN4 (0.36) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL511015 0.73 ALDH1A1 (0.38) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL8313319 0.73 KCNN4 (0.36) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL7254281 0.73 GAA (0.48) KCNN4KCNA3CYP11B1CYP11B2

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-20070072896-A1 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2007-03-29 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-20070072896-A1 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation NFKBIA, CHUK, MAP3K1 KCNN4 4693/4885KCNA3 4254/4885CYP11B1 2119/4885

“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.