SCHEMBL9280010

SCHEMBL9280010

O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)C1CCCN1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
PKM P14618 1/20 0.65
CYP2C19 P33261 1/20 0.65
POLB P06746 2/20 0.61
FKBP1A P62942 3/20 0.61
GAA P10253 1/20 0.59
NPC1 O15118 1/20 0.58
F2 P00734 2/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 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
SCHEMBL9280014 1.00 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL9275456 0.89 POLB (0.62) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL9275466 0.89 POLB (0.62) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL9275791 0.87 F2 (0.71) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL9275807 0.87 F2 (0.71) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL11428375 0.86 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL9280775 0.85 FKBP1A (0.72) POLBFKBP1A
SCHEMBL9280780 0.85 FKBP1A (0.72) POLBFKBP1A
SCHEMBL9280850 0.85 KMT2A (0.58) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL9280876 0.85 KMT2A (0.58) ALDH1A1CYP3A4CYP2C9PKMCYP2C19

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 ALDH1A1 859/4885CYP3A4 1353/4885CYP2C9 1078/4885

“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.