SCHEMBL1025812

SCHEMBL1025812

CC(C)(C)C(NC(=O)O)(C(N)CNC(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
Hydrochloric Acid SCHEMBL4854705 0.98 CYP2D6 (0.41) CYP2D6CYP2C19
SCHEMBL354239 0.78 CYP2D6 (0.50) CYP2D6CYP2C19
SCHEMBL9129579 0.76 CYP2D6 (0.41) CYP2D6CYP2C19
SCHEMBL17768026 0.70 CYP2D6 (0.44) CYP2D6CYP2C19
Oxalic Acid SCHEMBL14842505 0.67 CYP2D6 (0.41) CYP2D6CYP2C19
SCHEMBL203297 0.67 CYP2D6 (0.46) CYP2D6CYP2C19
SCHEMBL842714 0.66
SCHEMBL856065 0.66
SCHEMBL4528459 0.66
SCHEMBL3111890 0.65 CYP2D6 (0.55) CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697400-B1 BIPHENYL-SUBSTITUTED ANTIBACTERIAL MACROCYCLES AICURIS GMBH & CO KG (DE) 2011-05-25 EP disclosed
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed
WO-2005118613-A2 ANTIBACTERIAL AMIDE MACROCYCLES AICURIS GMBH & CO.KG (DE) 2005-12-15 WO disclosed
US-20050256037-A1 Antibacterial amide macrocyles BAYER HEALTHCARE AG (DE) 2005-11-17 US disclosed
WO-2005033129-A1 ANTIBACTERIAL AMIDE MACROCYCLES BAYER HEALTHCARE AG (DE) 2005-04-14 WO 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-20050256037-A1 Antibacterial amide macrocyles AADAC, PAM, NOD2 CYP2D6 1275/4885CYP2C19 399/4885

“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.