SCHEMBL12437109

SCHEMBL12437109

COC(=O)NC1CC(C(C)=O)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.36
BTK Q06187 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.33
EPHX1 P07099 2/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
F2R P25116 1/20 0.32
G6PD P11413 1/20 0.31
NAAA Q02083 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
SCHEMBL22722033 1.00 MAPT (0.41) MAPTTSHRATMBTKALDH1A1
SCHEMBL8916837 0.85 MAPT (0.41) MAPTTSHRATMBTKALDH1A1
SCHEMBL14853089 0.85 MAPT (0.41) MAPTTSHRATMBTKALDH1A1
SCHEMBL8917098 0.85 MAPT (0.41) MAPTTSHRATMBTKALDH1A1
SCHEMBL12436835 0.83 EPHX2 (0.42) MAPTTSHRBTKALDH1A1EPHX1
SCHEMBL890157 0.83 EPHX2 (0.42) MAPTTSHRBTKALDH1A1EPHX1
SCHEMBL890177 0.83 EPHX2 (0.42) MAPTTSHRBTKALDH1A1EPHX1
SCHEMBL23772481 0.82 BTK (0.47) MAPTTSHRATMBTKALDH1A1
SCHEMBL23917856 0.82 BTK (0.47) MAPTTSHRATMBTKALDH1A1
SCHEMBL12513663 0.79 BTK (0.58) BTKEPHX1

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 6 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-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-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 MAPT 2535/4885TSHR 183/4885ATM 2909/4885

“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.