SCHEMBL8227883

SCHEMBL8227883

CC(C)CN1C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C1c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 11/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
STS P08842 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8218924 0.90 HDAC1 (0.47) HDAC1HDAC6
SCHEMBL3989232 0.84 CACNA1H (0.46) CACNA1HMEN1KMT2ASTSHTT
SCHEMBL14263479 0.84 MEN1 (0.43) CACNA1HMEN1KMT2AHDAC1HDAC6
SCHEMBL8213940 0.83 CACNA1H (0.59) CACNA1HMEN1KMT2ASTSHTT
SCHEMBL8207195 0.82 HDAC1 (0.43) CACNA1HMEN1KMT2AHDAC1HDAC6
SCHEMBL14263432 0.80 CACNA1H (0.54) CACNA1HMEN1KMT2A
SCHEMBL8213185 0.80 CACNA1H (0.41) CACNA1HHDAC1HDAC6
SCHEMBL4412451 0.80 CACNA1H (0.59) CACNA1HMEN1KMT2ASTSHTT
SCHEMBL26818759 0.80 MEN1 (0.45) MEN1KMT2ASTSHTTSMN1; SMN2
SCHEMBL26822130 0.80 MDM2 (0.42) CACNA1HKMT2AHDAC1HDAC6

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-20080076750-A1 Azetidinone Derivatives and Methods of Use Thereof SCHERING CORPORATION 2008-03-27 US disclosed
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 CACNA1H 2829/4885MEN1 1687/4885KMT2A 3236/4885

“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.