SCHEMBL22906215

SCHEMBL22906215

CC(C)(CCO)n1cc(CN)nn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.37
MAOA P21397 4/20 0.37
MAOB P27338 2/20 0.35
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
ROCK1 Q13464 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL22567028 0.85
SCHEMBL11954946 0.78 NOTUM (0.43) NOTUMMAOAMAOBCA12CA1
SCHEMBL22826930 0.71 NOTUM (0.36) NOTUMCA1CA2CA9
SCHEMBL27420039 0.71 MIF (0.39)
SCHEMBL20820801 0.68 GRIA4 (0.41)
SCHEMBL14212094 0.68 NOTUM (0.41) NOTUMCA1CA2CA9
SCHEMBL1412500 0.67 NOTUM (0.45) NOTUMROCK1CLK4
SCHEMBL25013966 0.67 MAOA (0.37) NOTUMMAOAMAOB
SCHEMBL15360299 0.67 DDX3X (0.32) NOTUM
SCHEMBL12825187 0.66 MAOA (0.42) NOTUMMAOAMAOBCA12CA1

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-20210228728-A1 ANTIBODY-DRUG CONJUGATES AND USES THEREOF MABPLEX INTERNATIONAL, LTD. (CN) 2021-07-29 US disclosed
EP-3766981-A1 CATIONIC POLOXAMERS AND THEIR USE IN TRANSDUCTION OZ Biosciences (FR) 2021-01-20 EP 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-20210228728-A1 ANTIBODY-DRUG CONJUGATES AND USES THEREOF DARS1, CD2, FCGR2A NOTUM 2252/4885MAOA 1688/4885MAOB 2653/4885

“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.