SCHEMBL4749798

SCHEMBL4749798

CC(C)(C)OC(=O)[C@@]12COCC[C@@H]1CN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP2C19 P33261 1/20 0.40
RORC P51449 2/20 0.40
HTT P42858 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
CCR2 P41597 1/20 0.39
PDE4B Q07343 1/20 0.38
PARP1 P09874 1/20 0.38
AGTR2 P50052 1/20 0.37
MAPT P10636 1/20 0.37
HTR2C P28335 1/20 0.36
GAA P10253 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
SCHEMBL2670272 1.00 MEN1 (0.45) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4671202 0.87 SMN1; SMN2 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4749814 0.82 KMT2A (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4749815 0.82 KMT2A (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL14139892 0.81 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15081917 0.79 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2670187 0.78 RORC (0.42) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2670402 0.78 RORC (0.42) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2670397 0.77 RORC (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2670460 0.77 RORC (0.42) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 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 (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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 MEN1 3591/4885KMT2A 2847/4885NPSR1 2792/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 MEN1 3591/4885KMT2A 2847/4885NPSR1 2792/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 MEN1 3591/4885KMT2A 2847/4885NPSR1 2792/4885

“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.