SCHEMBL683253

SCHEMBL683253

C[C@H](NC(CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 18/20 0.79
ABCB11 O95342 1/20 0.71
PDE3A Q14432 1/20 0.58

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
SCHEMBL682458 0.94 ACE (0.75) ACEABCB11PDE3A
SCHEMBL4448940 0.94 ACE (0.80) ACEABCB11PDE3A
SCHEMBL4057734 0.93 ACE (0.83) ACEABCB11PDE3A
SCHEMBL682457 0.93 ACE (0.83) ACEABCB11PDE3A
SCHEMBL5981613 0.93 ACE (0.83) ACEABCB11PDE3A
SCHEMBL683270 0.90 ACE (0.88) ACEABCB11PDE3A
SCHEMBL683269 0.89 ACE (0.79) ACEABCB11PDE3A
SCHEMBL9246562 0.89 ACE (0.79) ACEABCB11PDE3A
Maleic Acid SCHEMBL4191053 0.89 ACE (0.77) ACEABCB11PDE3A
Quinaprilat SCHEMBL113237 0.88 ACE (1.00) ACEABCB11PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 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 (2 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-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 ACE 4514/4885ABCB11 4659/4885PDE3A 203/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ACE 6/4885ABCB11 4566/4885PDE3A 413/4885

“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.