SCHEMBL443067

SCHEMBL443067

CC(C)c1nc(C2CCC(C(=O)NCCNC(=O)OC(C)(C)C)CC2)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.39
MEN1 O00255 8/20 0.39
ALDH1A1 P00352 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
EPHX1 P07099 1/20 0.37
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.33
BRD4 O60885 1/20 0.33
PBK Q96KB5 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
BCHE P06276 1/20 0.33
GFER P55789 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 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
SCHEMBL443068 1.00 KMT2A (0.39) KMT2AMEN1ALDH1A1MTNR1AMTNR1B
SCHEMBL440763 0.82 MTNR1A (0.41) MTNR1AMTNR1BHCRTR1HCRTR2HTT
SCHEMBL440762 0.82 MTNR1A (0.41) MTNR1AMTNR1BHCRTR1HCRTR2HTT
SCHEMBL443224 0.80 KMT2A (0.43) KMT2AMEN1ALDH1A1MTNR1AMTNR1B
SCHEMBL443223 0.80 KMT2A (0.43) KMT2AMEN1ALDH1A1MTNR1AMTNR1B
SCHEMBL4725315 0.80 CNR2 (0.36) MTNR1AMTNR1BHCRTR1HCRTR2
Trifluoroacetic Acid SCHEMBL438004 0.78 MTNR1A (0.37) MTNR1AMTNR1BHCRTR1HCRTR2
SCHEMBL20559922 0.76 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPT
SCHEMBL20559918 0.76 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPT
SCHEMBL2596218 0.76 HCRTR1 (0.41) MTNR1AMTNR1BHCRTR1HCRTR2HTT

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-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 KMT2A 667/4885MEN1 4411/4885ALDH1A1 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.