SCHEMBL12017883

SCHEMBL12017883

CC(C)C(=O)NC[C@H]1CC[C@H](O)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
DPP4 P27487 1/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
KMT2A Q03164 3/20 0.37
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
DGAT1 O75907 1/20 0.32
MEN1 O00255 1/20 0.32
ARG1 P05089 2/20 0.31
ALDH1A1 P00352 1/20 0.31
EPHX1 P07099 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
SCHEMBL20665988 0.87 DPP4 (0.36) TDP1DPP4PREPFAPKMT2A
SCHEMBL1107035 0.85 TDP1 (0.52) TDP1DPP4PREPFAPKMT2A
SCHEMBL12017880 0.83 SIGMAR1 (0.40) DPP4PREPFAPKMT2ACYP3A4
SCHEMBL21695528 0.79 TDP1 (0.42) TDP1DPP4PREPFAPCYP3A4
SCHEMBL19116333 0.79 SMN1; SMN2 (0.38) TDP1PREPCYP3A4KDM4ESMN1; SMN2
SCHEMBL27393650 0.78 TDP1 (0.45) TDP1DPP4PREPFAPKMT2A
SCHEMBL12026402 0.77 EPHX1 (0.52) TDP1DPP4PREPFAPKMT2A
SCHEMBL15333740 0.77 CYP2D6 (0.47) TDP1KMT2ACYP3A4KDM4EMEN1
SCHEMBL15333742 0.77 CYP2D6 (0.47) TDP1KMT2ACYP3A4KDM4EMEN1
SCHEMBL15199665 0.77 EPHX1 (0.47) TDP1DPP4PREPFAPKMT2A

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-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCHERING CORPORATION 2012-08-30 US disclosed
US-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCHERING CORPORATION 2012-08-30 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-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCD, SCD5, CPT1A TDP1 4387/4885DPP4 899/4885PREP 2199/4885

“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.