SCHEMBL22262968

SCHEMBL22262968

[CH2]N[C@@H](COC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ GRN P28799 1/20 0.37
▸ SORT1 Q99523 1/20 0.37
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CTSK P43235 4/20 0.33
▸ CTSS P25774 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ DGAT1 O75907 1/20 0.31

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
SCHEMBL13993198 0.81 GRN (0.43) MAPK1GRNSORT1CYP1A2CYP2C9
SCHEMBL25455581 0.80 MAPK1 (0.36) MAPK1GRNSORT1CYP1A2CYP2C9
SCHEMBL25453637 0.80 MAPK1 (0.41) MAPK1GRNSORT1CYP1A2CYP2C9
SCHEMBL23051973 0.80 GRN (0.39) MAPK1GRNSORT1CYP1A2CYP2C9
SCHEMBL17219707 0.79 GRN (0.35) MAPK1GRNSORT1CYP1A2CYP2C9
SCHEMBL29750396 0.79 CAD (0.39) MAPK1GRNSORT1CYP1A2CYP2C9
SCHEMBL17291698 0.79 CTSK (0.36) MAPK1GRNSORT1CYP1A2CYP2C9
SCHEMBL23051872 0.77 CTSK (0.38) MAPK1GRNSORT1CTSKCTSS
SCHEMBL23051981 0.77 GRN (0.40) MAPK1GRNSORT1CYP1A2CYP2C9
SCHEMBL20571233 0.76 GRN (0.40) MAPK1GRNSORT1CYP1A2CYP2C9

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-20200237742-A1 Serdexmethylphenidate Conjugates, Compositions And Methods Of Use Thereof COMMAVE THERAPEUTICS SA (CH) 2020-07-30 — — 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-20200237742-A1 Serdexmethylphenidate Conjugates, Compositions And Methods Of Use Thereof SLC6A3, COMT, SLC6A4 MAPK1 2799/4885GRN 1266/4885SORT1 76/4885

“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.

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