SCHEMBL21775809

SCHEMBL21775809

Cn1cc([C@H]2CNC[C@@H]2NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
AKT1 P31749 3/20 0.38
SSTR4 P31391 4/20 0.38
SSTR1 P30872 3/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
GAA P10253 1/20 0.37
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.36
EPHX2 P34913 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 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
SCHEMBL21775810 1.00 KDM1A (0.40) KDM1AAKT1SSTR4SSTR1GSK3B
SCHEMBL21748758 0.83 HDAC3 (0.42) AKT1SSTR4SSTR1GSK3BDYRK1A
SCHEMBL21748756 0.83 HDAC3 (0.42) AKT1SSTR4SSTR1GSK3BDYRK1A
SCHEMBL21774912 0.82 SSTR4 (0.54) KDM1ASSTR4SSTR1GSK3BDYRK1A
SCHEMBL21774910 0.82 SSTR4 (0.54) KDM1ASSTR4SSTR1GSK3BDYRK1A
SCHEMBL15717069 0.79 KDM1A (0.57) KDM1ASSTR4MAOBMAOAEPHX2
SCHEMBL15717067 0.79 KDM1A (0.57) KDM1ASSTR4MAOBMAOAEPHX2
SCHEMBL8863765 0.79 KDM1A (0.57) KDM1ASSTR4MAOBMAOAEPHX2
SCHEMBL15717065 0.79 KDM1A (0.57) KDM1ASSTR4MAOBMAOAEPHX2
SCHEMBL19459195 0.79 KDM1A (0.57) KDM1ASSTR4MAOBMAOAEPHX2

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-20230021834-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-26 US disclosed
US-11045457-B2 Piperidinyl-3-(aryloxy)propanamides and propanoates TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-06-29 US disclosed
US-20200061041-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-27 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 (3 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-11045457-B2 Piperidinyl-3-(aryloxy)propanamides and propanoates SSTR4, SSTR3, NPY4R KDM1A 2926/4885AKT1 4129/4885SSTR4 1/4885
US-20200061041-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R KDM1A 2926/4885AKT1 4129/4885SSTR4 1/4885
US-20230021834-A1 PIPERIDINYL-3-(ARYLOXY)PROPANAMIDES AND PROPANOATES SSTR4, SSTR3, NPY4R KDM1A 2926/4885AKT1 4129/4885SSTR4 1/4885

“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.