SCHEMBL4934143

SCHEMBL4934143

N[C@@H](CCc1nc2ccccc2n1C1CCOCC1)C(=O)NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ OGFRL1 Q5TC84 3/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ OPRD1 P41143 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ HTR4 Q13639 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ CASP1 P29466 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
SCHEMBL4935846 1.00 PDE10A (0.39) PDE10APIK3CDPIK3CAPIK3CBHDAC6
SCHEMBL4928967 0.90 HDAC1 (0.48) HDAC6HDAC1HDAC3HDAC10OGFRL1
SCHEMBL4928960 0.90 HDAC1 (0.48) HDAC6HDAC1HDAC3HDAC10OGFRL1
SCHEMBL4931988 0.87 HDAC1 (0.45) HDAC1OGFRL1OPRM1OPRD1OPRK1
SCHEMBL4931965 0.87 HDAC1 (0.45) HDAC1OGFRL1OPRM1OPRD1OPRK1
SCHEMBL4935306 0.77 RECQL (0.59) PDE10AHDAC6RECQL
SCHEMBL4935298 0.77 RECQL (0.59) PDE10AHDAC6RECQL
SCHEMBL4926676 0.76 HDAC3 (0.52) HDAC6HDAC1HDAC3HDAC10HSD17B10
SCHEMBL4926659 0.76 HDAC3 (0.52) HDAC6HDAC1HDAC3HDAC10HSD17B10
SCHEMBL4937187 0.76 HDAC3 (0.52) HDAC6HDAC1HDAC3HDAC10HSD17B10

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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative KUREHA CORPORATION (JP) 2008-06-05 — — US disclosed
EP-1707560-A1 HYDROXAMIC ACID DERIVATIVE AND AGE GENERATION INHIBITOR CONTAINING THE DERIVATIVE Kureha Corporation (JP) 2006-10-04 — — EP 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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative HDAC5, HDAC1, HDAC9 PDE10A 1467/4885PIK3CD 1535/4885PIK3CA 1461/4885

“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.

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