SCHEMBL4795666

SCHEMBL4795666

CC(C)(C)OC(=O)N[C@]12CN(C(=O)OCc3ccccc3)C[C@H]1C1(CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
CTSL P07711 1/20 0.41
RORC P51449 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SYK P43405 1/20 0.39
CYP2C19 P33261 1/20 0.38
PARP1 P09874 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
KDM1A O60341 1/20 0.37
HTR2C P28335 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2670597 0.86 RORC (0.41) PDE4BCTSLRORCHTTSMN1; SMN2
SCHEMBL5785774 0.85 RORC (0.42) PDE4BCTSLRORCHTTSMN1; SMN2
SCHEMBL5785771 0.85 RORC (0.42) PDE4BCTSLRORCHTTSMN1; SMN2
SCHEMBL31085684 0.84 PDE4B (0.44) PDE4BCTSLRORCHTTSMN1; SMN2
SCHEMBL31085683 0.84 PDE4B (0.44) PDE4BCTSLRORCHTTSMN1; SMN2
SCHEMBL2670198 0.83 PDE4B (0.41) PDE4BCTSLRORCHTTSMN1; SMN2
SCHEMBL15082017 0.83 PDE4B (0.41) PDE4BCTSLRORCHTTSMN1; SMN2
SCHEMBL2670278 0.83 PDE4B (0.45) PDE4BCTSLRORCHTTSMN1; SMN2
SCHEMBL2670241 0.83 PDE4B (0.45) PDE4BCTSLRORCHTTSMN1; SMN2
SCHEMBL14346460 0.83 PDE4B (0.45) PDE4BCTSLRORCHTTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 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 (2 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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 PDE4B 1611/4885CTSL 2741/4885RORC 519/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 PDE4B 1611/4885CTSL 2741/4885RORC 519/4885

“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.