SCHEMBL31369964

SCHEMBL31369964

O=C(O)[C@@H]1Cc2ccc(F)cc2CN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.41
POLB P06746 3/20 0.41
FABP5 Q01469 3/20 0.40
FABP7 O15540 2/20 0.40
OPRD1 P41143 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
PTPN1 P18031 1/20 0.39
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL31369965 1.00 ACE (0.41) ACEPOLBFABP5FABP7OPRD1
SCHEMBL19927592 0.96 AGTR2 (0.41) ACEPOLBFABP5FABP7MDM4
SCHEMBL19927591 0.96 AGTR2 (0.41) ACEPOLBFABP5FABP7MDM4
SCHEMBL30951917 0.88 OPRM1 (0.46) ACEPOLBFABP5FABP7OPRD1
SCHEMBL13252698 0.88 ACE (0.52) ACEPOLBFABP5FABP7TDP1
SCHEMBL29398714 0.88 ACE (0.52) ACEPOLBFABP5FABP7TDP1
SCHEMBL119605 0.88 ACE (0.52) ACEPOLBFABP5FABP7TDP1
SCHEMBL119635 0.88 ACE (0.52) ACEPOLBFABP5FABP7TDP1
SCHEMBL29400546 0.88 ACE (0.52) ACEPOLBFABP5FABP7TDP1
SCHEMBL31627415 0.88 POLB (0.47) ACEPOLBFABP5FABP7PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 ACE 1529/4885POLB 4547/4885FABP5 424/4885

“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.