SCHEMBL22901375

SCHEMBL22901375

CC(=O)[C@@H](N(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 4/20 0.41
DRD3 P35462 3/20 0.41
GRIN2D O15399 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
KCNH2 Q12809 2/20 0.41
DRD4 P21917 2/20 0.41
CACNA1F O60840 1/20 0.41
ABCB1 P08183 1/20 0.41
CYP2B6 P20813 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
MRGPRX2 Q96LB1 1/20 0.41

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
SCHEMBL13681903 0.87 MAPT (0.42) MAPTKMT2AOPRM1DRD3GRIN2D
SCHEMBL24115087 0.81 KMT2A (0.44) MAPTKMT2AOPRM1DRD3GRIN2D
SCHEMBL22111365 0.76 ALDH1A1 (0.43) MAPTKMT2AOPRM1DRD3GRIN2D
SCHEMBL13681905 0.74 MAPT (0.38) MAPTKMT2AOPRM1DRD3GRIN2D
SCHEMBL22901464 0.74 MMP2 (0.48)
SCHEMBL21086711 0.73 MAPT (0.48) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL2570877 0.73 CYP1A2 (0.44) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL616295 0.73 MAPT (0.48) MAPTKMT2AOPRM1DRD3GRIN2D
SCHEMBL13581414 0.73 CYP2C19 (0.40) MAPTKMT2AOPRM1DRD3GRIN2D
Acetic Acid SCHEMBL19552669 0.71 MAPT (0.45) MAPTKMT2ACYP2C19HIF1AHDAC3

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-20210017274-A1 Drug-Conjugates With a Targeting Molecule and Two Different Drugs SORRENTO THERAPEUTICS, INC. (US) 2021-01-21 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-20210017274-A1 Drug-Conjugates With a Targeting Molecule and Two Different Drugs ERBB2, ABCG2, DYNLL2 MAPT 752/4885KMT2A 1149/4885OPRM1 1775/4885

“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.