SCHEMBL408804

SCHEMBL408804

CCOC(=O)C1CCc2nc(C(C)C)oc2C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.49
LIPE Q05469 2/20 0.38
ALDH1A1 P00352 6/20 0.37
LIMK1 P53667 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 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
SCHEMBL17711730 0.84 PDK1 (0.53) PDK1ALDH1A1LIMK1SMN1; SMN2PIK3R1
SCHEMBL408343 0.76 KDM4E (0.46) PDK1ALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL443298 0.75 MTNR1A (0.41) SMN1; SMN2
SCHEMBL31133227 0.73 PDK1 (0.52) PDK1ALDH1A1LIMK1SMN1; SMN2HPGD
SCHEMBL406838 0.72 PDK1 (0.68) PDK1ALDH1A1LIMK1SMN1; SMN2PIK3R1
SCHEMBL408718 0.71 PDK1 (0.47) PDK1ALDH1A1LIMK1SMN1; SMN2TSHR
SCHEMBL17338741 0.70 PDK1 (0.46) PDK1LIPEALDH1A1LIMK1SMN1; SMN2
SCHEMBL21563110 0.69 CYP2C9 (0.36) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL1700743 0.69 PDK1 (0.74) PDK1ALDH1A1LIMK1SMN1; SMN2TSHR
SCHEMBL29150153 0.68 PDK1 (0.47) PDK1LIMK1PIK3R1PIK3CANPC1

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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 (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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT PDK1 377/4885LIPE 216/4885ALDH1A1 272/4885

“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.