SCHEMBL29604392

SCHEMBL29604392

CC(C)(C)OC(=O)NCCCCC1C[N@@]1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IDO1 P14902 1/20 0.46
DRD2 P14416 5/20 0.45
NPFFR1 Q9GZQ6 1/20 0.45
NPFFR2 Q9Y5X5 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL29604592 1.00 SIGMAR1 (0.48) SIGMAR1HDAC2HDAC8HDAC6KMT2A
SCHEMBL23802861 0.83 SIGMAR1 (0.41) SIGMAR1KMT2A
SCHEMBL23802847 0.83 SIGMAR1 (0.41) SIGMAR1KMT2A
SCHEMBL8576442 0.81 SIGMAR1 (0.49) SIGMAR1HDAC2HDAC8HDAC6DRD2
SCHEMBL8576438 0.81 SIGMAR1 (0.49) SIGMAR1HDAC2HDAC8HDAC6DRD2
SCHEMBL17155200 0.81 KMT2A (0.49) SIGMAR1KMT2AL3MBTL1IDO1DRD2
SCHEMBL23802858 0.78 TDP1 (0.49) KMT2ADRD2MEN1GAA
SCHEMBL12571328 0.78 ABCB1 (0.54) SIGMAR1L3MBTL1IDO1MAPT
SCHEMBL28352440 0.78 KMT2A (0.47) KMT2AL3MBTL1DRD2NPFFR1NPFFR2
SCHEMBL30835197 0.78 KMT2A (0.47) KMT2AL3MBTL1DRD2NPFFR1NPFFR2

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
EP-3515896-B1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES UNIV HONG KONG POLYTECHNIC (CN) 2024-08-21 EP disclosed
US-11357873-B2 Chiral cyclen compounds and their uses THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2022-06-14 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-11357873-B2 Chiral cyclen compounds and their uses DCTN3, DCTN1, CDK3 SIGMAR1 213/4885HDAC2 889/4885HDAC8 905/4885

“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.