SCHEMBL8217831

SCHEMBL8217831

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(c1cncnc1)C2c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
GPR119 Q8TDV5 3/20 0.52
NAMPT P43490 5/20 0.47
TRPV1 Q8NER1 7/20 0.42
KDM1A O60341 1/20 0.41
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
KIT P10721 1/20 0.40

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
SCHEMBL8214411 0.94 GPR119 (0.56) HDAC1HDAC6GPR119NAMPTTRPV1
SCHEMBL8218928 0.91 HDAC1 (0.56) HDAC1HDAC6GPR119NAMPTTRPV1
SCHEMBL8207926 0.91 TRPV1 (0.51) HDAC1HDAC6GPR119TRPV1
SCHEMBL8217952 0.89 HDAC1 (0.52) HDAC1HDAC6GPR119NAMPTTRPV1
SCHEMBL8224724 0.88 HDAC1 (0.53) HDAC1HDAC6GPR119NAMPTTRPV1
SCHEMBL8224617 0.87 HDAC1 (0.53) HDAC1HDAC6GPR119NAMPTMAPT
SCHEMBL8224619 0.85 CACNA1H (0.46) HDAC1HDAC6GPR119MEN1KMT2A
SCHEMBL8224919 0.85 HDAC1 (0.57) HDAC1HDAC6GPR119NAMPTKDM1A
SCHEMBL8224778 0.85 GPR119 (0.52) HDAC1HDAC6GPR119NAMPTTRPV1
SCHEMBL8224767 0.84 CACNA1H (0.52) HDAC1HDAC6GPR119NAMPTGRM5

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-20080076750-A1 Azetidinone Derivatives and Methods of Use Thereof SCHERING CORPORATION 2008-03-27 US disclosed
WO-2008033460-A2 TREATING PAIN, DIABETES, AND LIPID METABOLISM DISORDERS SCHERING CORPORATION (US) 2008-03-20 WO 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-20080076750-A1 Azetidinone Derivatives and Methods of Use Thereof LIPC, CES1, ZDHHC20 HDAC1 937/4885HDAC6 2818/4885GPR119 81/4885

“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.