SCHEMBL683270

SCHEMBL683270

COc1cc2c(cc1OC)CN(C(=O)[C@H](C)NC(CCc1ccccc1)C(=O)O)[C@H](C(=O)OCc1ccccc1)C2

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 15/20 0.88
PDE3A Q14432 1/20 0.73
ABCB11 O95342 1/20 0.58
AGTR2 P50052 1/20 0.52

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
SCHEMBL683951 0.95 ACE (0.91) ACEPDE3AABCB11AGTR2
SCHEMBL683585 0.94 ACE (1.00) ACEPDE3AABCB11AGTR2
Moexiprilat SCHEMBL12737185 0.91 ACE (1.00) ACEPDE3AABCB11AGTR2
Moexiprilat SCHEMBL682459 0.91 ACE (1.00) ACEPDE3AABCB11AGTR2
Moexiprilat SCHEMBL7264205 0.91 ACE (1.00) ACEPDE3AABCB11AGTR2
Moexiprilat SCHEMBL616776 0.91 ACE (1.00) ACEPDE3AABCB11AGTR2
SCHEMBL682470 0.90 ACE (0.82) ACEPDE3AABCB11AGTR2
SCHEMBL683253 0.90 ACE (0.79) ACEPDE3AABCB11
SCHEMBL8299440 0.89 ACE (0.73) ACEPDE3AABCB11
SCHEMBL8302594 0.89 ACE (0.73) ACEPDE3AABCB11

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-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 4514/4885PDE3A 203/4885ABCB11 4659/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ACE 6/4885PDE3A 413/4885ABCB11 4566/4885

“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.