SCHEMBL12436838

SCHEMBL12436838

CC(=O)C1CCC(N2C(=O)CNC2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL22722025 1.00 DUSP3 (0.35) DUSP3MEN1KMT2ATSHRHDAC1
SCHEMBL13446781 0.85 DUSP3 (0.33) DUSP3MEN1KMT2A
SCHEMBL1970539 0.84 MEN1 (0.50) DUSP3MEN1KMT2ATSHROPRM1
SCHEMBL1970541 0.84 MEN1 (0.50) DUSP3MEN1KMT2ATSHROPRM1
SCHEMBL11410317 0.83 OPRM1 (0.38) TSHROPRM1OPRD1OPRK1OGFRL1
SCHEMBL791794 0.78 OPRM1 (0.34) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL6230172 0.74 OPRM1 (0.49) KMT2AOPRM1OPRD1OPRK1OGFRL1
SCHEMBL14528262 0.73 KMT2A (0.38) DUSP3MEN1KMT2ATSHRALDH1A1
SCHEMBL3064713 0.72 OPRM1 (0.35) MEN1KMT2ATSHROPRM1OPRD1
SCHEMBL8302114 0.71 MEN1 (0.37) DUSP3MEN1KMT2AOPRM1OPRK1

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 4 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-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

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 DUSP3 4716/4885MEN1 209/4885KMT2A 1146/4885

“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.