SCHEMBL12436737

SCHEMBL12436737

CC(=O)C1CCC(N(C)C(C)=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.37
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
BTK Q06187 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NAMPT P43490 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
SCHEMBL22722026 1.00 DPP4 (0.37) DPP4DPP8DPP9DPP7ATM
SCHEMBL5506106 0.88
SCHEMBL26430504 0.87 DPP4 (0.33) DPP4DPP8DPP9DPP7
SCHEMBL24131650 0.84 LMNA (0.39) DPP4DPP8DPP9DPP7ATM
SCHEMBL2943478 0.84 LMNA (0.39) DPP4DPP8DPP9DPP7ATM
SCHEMBL1345151 0.84 LMNA (0.39) DPP4DPP8DPP9DPP7ATM
SCHEMBL12412594 0.81 L3MBTL3 (0.38)
SCHEMBL14589116 0.80
SCHEMBL2942749 0.79 TP53 (0.41) DPP4DPP8TSHRALDH1A1
SCHEMBL24131653 0.79 TP53 (0.41) DPP4DPP8TSHRALDH1A1

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 5 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

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 DPP4 3617/4885DPP8 3129/4885DPP9 3549/4885

“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.