SCHEMBL9280780

SCHEMBL9280780

O=C(NCCCc1ccccc1)C1CCCN1C(=O)C1CCCN1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 16/20 0.72
EPHX2 P34913 2/20 0.57
POLB P06746 1/20 0.55

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
SCHEMBL9280775 1.00 FKBP1A (0.72) FKBP1AEPHX2POLB
SCHEMBL23532712 0.92 FKBP1A (0.73) FKBP1AEPHX2POLB
SCHEMBL23532710 0.92 FKBP1A (0.73) FKBP1AEPHX2POLB
SCHEMBL9280010 0.85 ALDH1A1 (0.65) FKBP1APOLB
SCHEMBL9280014 0.85 ALDH1A1 (0.65) FKBP1APOLB
SCHEMBL9275930 0.83 POLB (0.54) FKBP1APOLB
SCHEMBL9280440 0.83 POLB (0.69) FKBP1APOLB
SCHEMBL9275925 0.83 POLB (0.54) FKBP1APOLB
SCHEMBL9280447 0.83 POLB (0.69) FKBP1APOLB
SCHEMBL18555855 0.83 FKBP1A (0.71) FKBP1AEPHX2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193762-B2 Selective inhibitors of prolylcarboxypeptidase UNIVERSITY OF MISSISSIPPI (US) 2015-11-24 US disclosed
US-20130310311-A1 NOVEL SELECTIVE INHIBITORS OF PROLYLCARBOXYPEPTIDASE THE UNIVERSITY OF MISSISSIPPI 2013-11-21 US disclosed
WO-2012075287-A2 NOVEL SELECTIVE INHIBITORS OF PROLYLCARBOXYPEPTIDASE THE UNIVERSITY OF MISSISSIPPI (US) 2012-06-07 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-20130310311-A1 NOVEL SELECTIVE INHIBITORS OF PROLYLCARBOXYPEPTIDASE PREP, PEPD, DPEP1 FKBP1A 159/4885EPHX2 1499/4885POLB 2633/4885

“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.