SCHEMBL4931965

SCHEMBL4931965

CN1CCC(n2c(CC[C@H](N)C(=O)NO)nc3ccccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ UBE2N P61088 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CCR5 P51681 5/20 0.42
▸ OPRD1 P41143 3/20 0.42
▸ OPRL1 P41146 2/20 0.42
▸ CXCR4 P61073 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ OPRM1 P35372 2/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ OGFRL1 Q5TC84 2/20 0.41
▸ FPR2 P25090 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ RECQL P46063 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
SCHEMBL4931988 1.00 HDAC1 (0.45) HDAC1MAPK1KDRUBE2NNPSR1
SCHEMBL4928967 0.89 HDAC1 (0.48) HDAC1OPRD1OPRL1OPRM1OPRK1
SCHEMBL4928960 0.89 HDAC1 (0.48) HDAC1OPRD1OPRL1OPRM1OPRK1
SCHEMBL4935846 0.87 PDE10A (0.39) HDAC1MAPK1KDRUBE2NNPSR1
SCHEMBL4934143 0.87 PDE10A (0.39) HDAC1MAPK1KDRUBE2NNPSR1
SCHEMBL4935298 0.81 RECQL (0.59) RECQL
SCHEMBL4935306 0.81 RECQL (0.59) RECQL
SCHEMBL4928842 0.77 MEN1 (0.56) LMNAL3MBTL1RECQL
SCHEMBL4928835 0.77 MEN1 (0.56) LMNAL3MBTL1RECQL
SCHEMBL4930759 0.76 HDAC1 (0.40) HDAC1LMNAL3MBTL1

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 HDAC1 2/4885MAPK1 400/4885KDR 3463/4885

“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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