SCHEMBL15107826

SCHEMBL15107826

CC(C)(C)OC(=O)N1CCCO[C@@H](CN)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.43
PDK1 Q15118 4/20 0.41
RECQL P46063 1/20 0.41
NR1H2 P55055 1/20 0.40
EPHX1 P07099 1/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
PREP P48147 1/20 0.36
ACKR3 P25106 1/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL13779825 1.00 MAPT (0.48) MAPTMEN1ALDH1A1KMT2AUSP2
SCHEMBL8004062 1.00 MAPT (0.48) MAPTMEN1ALDH1A1KMT2AUSP2
SCHEMBL60605 0.92 USP2 (0.51) MAPTMEN1ALDH1A1KMT2AUSP2
SCHEMBL555079 0.92 USP2 (0.51) MAPTMEN1ALDH1A1KMT2AUSP2
SCHEMBL554849 0.92 USP2 (0.51) MAPTMEN1ALDH1A1KMT2AUSP2
Hydrochloric Acid SCHEMBL31601582 0.90 USP2 (0.50) MAPTMEN1ALDH1A1KMT2AUSP2
Acetic Acid SCHEMBL31055697 0.88 USP2 (0.48) MAPTMEN1ALDH1A1KMT2AUSP2
SCHEMBL305277 0.87 PDK1 (0.52) MAPTMEN1ALDH1A1KMT2AUSP2
SCHEMBL305278 0.87 PDK1 (0.52) MAPTMEN1ALDH1A1KMT2AUSP2
SCHEMBL306580 0.87 PDK1 (0.52) MAPTMEN1ALDH1A1KMT2AUSP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274475-A1 BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2013-10-17 US disclosed
US-8487093-B2 β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-20110294777-A1 BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-12-01 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 (2 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-20110294777-A1 BETA-LACTAMASE INHIBITORS MGAM, RPIA, LBR MAPT 3486/4885MEN1 3789/4885ALDH1A1 307/4885
US-20130274475-A1 BETA-LACTAMASE INHIBITORS MGAM, RPIA, XDH MAPT 3438/4885MEN1 3883/4885ALDH1A1 422/4885

“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.