SCHEMBL1971144

SCHEMBL1971144

CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(c3ccccc3)C2=O)[C@H](c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.51
GPR119 Q8TDV5 2/20 0.44
RORC P51449 1/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
MAPK8 P45983 2/20 0.40
STS P08842 1/20 0.39
TACR3 P29371 1/20 0.39
TACR1 P25103 2/20 0.38
LIPE Q05469 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
TACR2 P21452 1/20 0.37
TAC3 Q9UHF0 1/20 0.37

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
SCHEMBL15397491 0.87 SLC6A9 (0.41) TP53MAPTTACR1MEN1KMT2A
SCHEMBL1969503 0.81 TACR3 (0.42) MAPTSTSTACR3TACR1TACR2
SCHEMBL4159759 0.78 PDE4B (0.52) USP30GPR119RORCSTSTACR3
SCHEMBL1972927 0.78 PDE4B (0.52) USP30GPR119RORCSTSTACR3
SCHEMBL4141590 0.78 PDE4B (0.52) USP30GPR119RORCSTSTACR3
SCHEMBL30693201 0.77 TACR1 (0.47) TP53STSTACR3TACR1TACR2
SCHEMBL1971060 0.77 TACR1 (0.47) TP53STSTACR3TACR1TACR2
SCHEMBL30022421 0.77 STS (0.46) GPR119RORCSTSTACR3
SCHEMBL3999857 0.77 SLC6A2 (0.47) GPR119RORCSTSTACR3
SCHEMBL12435403 0.77 SLC6A2 (0.47) GPR119RORCSTSTACR3

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 3 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-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 USP30 4000/4885GPR119 197/4885RORC 3261/4885

“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.