SCHEMBL6524554

SCHEMBL6524554

CC(C)[C@@H](C(=O)N1CCC(Oc2ncc(N3CCCCC3)cn2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.41
HMOX1 P09601 1/20 0.37
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
HSP90AA1 P07900 2/20 0.34
LNPEP Q9UIQ6 3/20 0.33
SMYD3 Q9H7B4 1/20 0.33
NAMPT P43490 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL6522432 0.86 HMOX1 (0.39) ACACBHMOX1HSP90AA1LNPEPNAMPT
SCHEMBL6523540 0.86 HMOX1 (0.39) ACACBHMOX1HSP90AA1LNPEPNAMPT
SCHEMBL6522478 0.86 HMOX1 (0.50) ACACBHMOX1HSP90AA1LNPEPNAMPT
SCHEMBL6522916 0.85 LNPEP (0.37) ACACBLNPEPNAMPT
SCHEMBL6523694 0.85 LIPE (0.43) ACACBHMOX1DPP4DPP7
SCHEMBL6523359 0.85 HMOX1 (0.38) ACACBHMOX1LNPEPSMYD3NAMPT
SCHEMBL6518379 0.84 HMOX1 (0.43) ACACBHMOX1DPP4DPP7NAMPT
Hydrochloric Acid SCHEMBL6524534 0.81 ACACB (0.43) ACACBHMOX1DPP4DPP7HSP90AA1
SCHEMBL6522911 0.80 DPP4 (0.41) HMOX1DPP4DPP7LNPEPNAMPT
SCHEMBL6522055 0.80 DPP4 (0.41) HMOX1DPP4DPP7LNPEPNAMPT

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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE F12, F2, C3AR1 ACACB 3542/4885HMOX1 334/4885DPP4 3073/4885

“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.