SCHEMBL4018727

SCHEMBL4018727

CN(C(=O)O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.62
HSD11B1 P28845 2/20 0.55
JAK2 O60674 1/20 0.54
JAK1 P23458 1/20 0.54
GPR119 Q8TDV5 4/20 0.46
HPGD P15428 1/20 0.46
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL1624330 1.00 USP30 (0.62) USP30HSD11B1JAK2JAK1GPR119
SCHEMBL4013907 0.91 USP30 (0.54) USP30HSD11B1JAK2JAK1HPGD
SCHEMBL4020310 0.91 USP30 (0.54) USP30HSD11B1JAK2JAK1HPGD
SCHEMBL4014859 0.91 USP30 (0.54) USP30HSD11B1JAK2JAK1HPGD
SCHEMBL1780697 0.88 USP30 (0.59) USP30HSD11B1JAK2JAK1GPR119
SCHEMBL13934774 0.88 USP30 (0.59) USP30HSD11B1JAK2JAK1GPR119
SCHEMBL14331976 0.88 USP30 (0.59) USP30HSD11B1JAK2JAK1GPR119
SCHEMBL21285788 0.88 HSD11B1 (0.69) USP30HSD11B1JAK2JAK1GPR119
SCHEMBL654494 0.87 USP30 (0.58) USP30HSD11B1JAK2JAK1GPR119
SCHEMBL21782989 0.87 USP30 (0.58) USP30HSD11B1JAK2JAK1GPR119

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-20090312342-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-12-17 US disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 EP 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-20090312342-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 USP30 3809/4885HSD11B1 4751/4885JAK2 3157/4885

“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.