SCHEMBL13062216

SCHEMBL13062216

CN[C@@]1(C(=O)OC)CCOC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MMP1 P03956 5/20 0.32
MMP13 P45452 5/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL15221426 1.00 CYP3A4 (0.36) CYP3A4CYP2C9PKMCYP2C19NPSR1
SCHEMBL15221367 0.88 CYP3A4 (0.41) CYP3A4CYP2C9PKMCYP2C19NPSR1
SCHEMBL21491715 0.84 NPSR1 (0.33) NPSR1MAPTKDM4EKMT2ACYP4F2
SCHEMBL29957085 0.82 KDM4E (0.35) KDM4EKMT2AMMP1MMP13ALDH1A1
SCHEMBL15461477 0.80 NPSR1 (0.34) CYP3A4CYP2C9PKMCYP2C19NPSR1
SCHEMBL14463167 0.79 CYP3A4 (0.33) CYP3A4CYP2C9PKMCYP2C19NPSR1
SCHEMBL13012370 0.79 CYP3A4 (0.33) CYP3A4CYP2C9PKMCYP2C19NPSR1
SCHEMBL1189812 0.77
SCHEMBL29156265 0.76 ANO1 (0.34) CYP3A4CYP2C9PKMCYP2C19MAPT
SCHEMBL22120511 0.76 TSHR (0.36) CYP3A4CYP2C9PKMCYP2C19KMT2A

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-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 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-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS GART, DDC, ALDH7A1 CYP3A4 118/4885CYP2C9 104/4885PKM 389/4885

“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.