SCHEMBL12436835

SCHEMBL12436835

COC(=O)NC1CCC(C(C)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
MAPT P10636 1/20 0.42
EPHX1 P07099 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 3/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL890177 1.00 EPHX2 (0.42) EPHX2MAPTEPHX1ALDH1A1GAA
SCHEMBL890157 1.00 EPHX2 (0.42) EPHX2MAPTEPHX1ALDH1A1GAA
SCHEMBL14853089 0.90 MAPT (0.41) EPHX2MAPTEPHX1ALDH1A1GAA
SCHEMBL8916837 0.90 MAPT (0.41) EPHX2MAPTEPHX1ALDH1A1GAA
SCHEMBL8917098 0.90 MAPT (0.41) EPHX2MAPTEPHX1ALDH1A1GAA
SCHEMBL2050427 0.87
SCHEMBL8464579 0.87 EPHX1 (0.46) EPHX2MAPTEPHX1ALDH1A1POLB
SCHEMBL15468685 0.84 EPHX2 (0.40) EPHX2EPHX1ALDH1A1GAAPOLB
SCHEMBL1344592 0.83 ALDH1A1 (0.53) EPHX2MAPTEPHX1ALDH1A1GAA
SCHEMBL753965 0.83 ALDH1A1 (0.53) EPHX2MAPTEPHX1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
WO-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
WO-2010032856-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME 武田薬品工業株式会社 (JP) 2010-03-25 WO 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B EPHX2 1713/4885MAPT 2535/4885EPHX1 3088/4885

“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.