SCHEMBL2901150

SCHEMBL2901150

CCOC(=O)c1cnn(C)c1[C@@H]1C[C@H](NCC(C)C)CN(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
JAK1 P23458 2/20 0.34
JAK3 P52333 2/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL12991749 0.88 LMNA (0.46) ALDH1A1NPSR1LMNAKMT2AMEN1
SCHEMBL2902732 0.82 LMNA (0.41) PDE4BKDM4EHSD17B10ALDH1A1NPSR1
SCHEMBL2902432 0.80 HSD11B1 (0.41) ALDH1A1GAA
SCHEMBL16488573 0.73 LMNA (0.54) PDE4BKDM4EHSD17B10ALDH1A1NPSR1
SCHEMBL12991744 0.71 LMNA (0.46) ALDH1A1NPSR1LMNAKMT2AMEN1
SCHEMBL31582637 0.70 LMNA (0.62) ALDH1A1NPSR1LMNAKMT2AMEN1
SCHEMBL12990968 0.70 LMNA (0.50) KDM4EALDH1A1NPSR1LMNAKMT2A
SCHEMBL2900509 0.65 POLB (0.36) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29188207 0.65 POLB (0.36) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27835383 0.65 POLB (0.36) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19

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
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 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-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME REN, ACE, AGT PDE4B 632/4885KDM4E 1257/4885HSD17B10 552/4885

“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.