SCHEMBL3383660

SCHEMBL3383660

[2H]C1=CCN(C(=O)OC(C)(C)C)[C@H](CO)C1[2H]

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PREP P48147 1/20 0.33
SRC P12931 8/20 0.32
ATM Q13315 2/20 0.32
ABCB1 P08183 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL609920 0.80 NR1H2 (0.41) NR1H2MEN1KMT2APREPSRC
SCHEMBL31457995 0.74 PREP (0.37) NR1H2MEN1KMT2APREPATM
SCHEMBL1639634 0.72 NR1H2 (0.42) NR1H2MEN1KMT2APREPCHRM2
SCHEMBL2227084 0.72 NR1H2 (0.42) NR1H2MEN1KMT2APREPCHRM2
SCHEMBL24821656 0.72 NR1H2 (0.42) NR1H2MEN1KMT2APREPCHRM2
SCHEMBL31457968 0.70 PREP (0.36) NR1H2MEN1KMT2APREPATM
SCHEMBL31457937 0.70 NR1H2 (0.40) NR1H2MEN1KMT2APREPCHRM2
SCHEMBL31457946 0.70 PREP (0.38) NR1H2MEN1KMT2APREPATM
SCHEMBL71904 0.69 NR1H2 (0.45) NR1H2ATMCHRM2CHRM1CHRM3
SCHEMBL283443 0.69 NR1H2 (0.45) NR1H2ATMCHRM2CHRM1CHRM3

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-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B NR1H2 1197/4885MEN1 1353/4885KMT2A 1395/4885

“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.