SCHEMBL22428331

SCHEMBL22428331

CCCC[C@H](N)C(=O)N1CCc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.63
DPP8 Q6V1X1 8/20 0.62
DPP7 Q9UHL4 6/20 0.62
DPP9 Q86TI2 4/20 0.61
ACE P12821 2/20 0.56
NLN Q9BYT8 1/20 0.55
NOTUM Q6P988 1/20 0.52
DPP4 P27487 2/20 0.51

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
SCHEMBL14812392 0.85 HDAC3 (0.64) HDAC8DPP8DPP7DPP9ACE
SCHEMBL4952073 0.82 HDAC8 (0.74) HDAC8DPP8DPP7DPP9ACE
SCHEMBL10422997 0.79 ACE (0.67) HDAC8DPP8DPP7DPP9ACE
SCHEMBL10422998 0.79 ACE (0.67) HDAC8DPP8DPP7DPP9ACE
SCHEMBL1358772 0.78 HDAC8 (0.97) HDAC8DPP8DPP7DPP9ACE
SCHEMBL1358775 0.78 HDAC8 (0.97) HDAC8DPP8DPP7DPP9ACE
SCHEMBL9032632 0.77 DPP8 (0.82) HDAC8DPP8DPP7DPP9ACE
SCHEMBL9032640 0.77 DPP8 (0.82) HDAC8DPP8DPP7DPP9ACE
SCHEMBL14392412 0.77 DPP8 (1.00) HDAC8DPP8DPP7DPP9NLN
SCHEMBL21746926 0.76 DPP7 (1.00) HDAC8DPP8DPP7DPP9DPP4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200291086-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS Han, Jie (US) 2020-09-17 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-20200291086-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD HDAC8 1264/4885DPP8 1691/4885DPP7 1301/4885

“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.