SCHEMBL22967779

SCHEMBL22967779

CC(C)OCC1(N(C)C)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.34
THRB P10828 3/20 0.32
TP53 P04637 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
SLC6A5 Q9Y345 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
SCHEMBL22969785 0.98 LMNA (0.33) LMNAKMT2A
SCHEMBL24730511 0.89
SCHEMBL2455158 0.78 LMNA (0.39) LMNAKMT2ATHRBTP53OPRM1
SCHEMBL24359198 0.75
SCHEMBL24359206 0.75 CYP2D6 (0.35)
SCHEMBL24730836 0.74
SCHEMBL29343837 0.73
SCHEMBL22970030 0.73 LMNA (0.35) LMNAKMT2ATHRBTP53OPRM1
SCHEMBL14486972 0.73
SCHEMBL22967780 0.72 SLC6A3 (0.33)

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-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-02-11 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-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC LMNA 3937/4885KMT2A 3115/4885THRB 2972/4885

“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.