SCHEMBL3244534

SCHEMBL3244534

C=C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CCO

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
PDE4B Q07343 1/20 0.36
GPR119 Q8TDV5 4/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL3246480 1.00 NR1H2 (0.41) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL6977617 0.88 MEN1 (0.39) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL5186931 0.88 MEN1 (0.39) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL426434 0.88 NR1H2 (0.39) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL6976635 0.87 HPGD (0.42) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL427722 0.85 EPHX1 (0.38) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL447284 0.85 EPHX1 (0.38) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL6217654 0.85 HPGD (0.40) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL5304979 0.83 RECQL (0.39) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL15076438 0.82 NR1H2 (0.46) NR1H2HPGDMEN1ALDH1A1MAPT

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
EP-1799674-B1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-05 EP disclosed
US-20070173532-A1 New Piperidine Antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-26 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-20070173532-A1 New Piperidine Antibiotics OPRM1, SIGMAR1, CBR3 NR1H2 1573/4885HPGD 3726/4885MEN1 4025/4885

“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.