SCHEMBL682293

SCHEMBL682293

CCC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.46
ACE2 Q9BYF1 5/20 0.46
CMA1 P23946 4/20 0.45
OPRM1 P35372 2/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
SLC6A2 P23975 1/20 0.44

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
SCHEMBL683495 0.91 OPRM1 (0.48) ACEACE2CMA1OPRM1OPRD1
SCHEMBL11275092 0.91 CMA1 (0.49) ACEACE2CMA1OPRM1OPRD1
SCHEMBL683514 0.91 CMA1 (0.46) ACEACE2CMA1OPRM1OPRD1
SCHEMBL683447 0.91 SLC6A2 (0.53) ACEOPRM1SLC6A2
SCHEMBL683506 0.90 ACE (0.54) ACEACE2CMA1SLC6A2
SCHEMBL11459782 0.90 ACE (0.54) ACEACE2CMA1SLC6A2
SCHEMBL11278066 0.90 ACE (0.54) ACEACE2CMA1SLC6A2
SCHEMBL11283369 0.90 ACE (0.49) ACEACE2CMA1OPRM1OPRD1
SCHEMBL683525 0.89 CMA1 (0.48) ACEACE2CMA1OPRM1OPRD1
SCHEMBL683121 0.88 ACE (0.49) ACEACE2CMA1OPRM1OPRD1

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 4514/4885ACE2 4392/4885CMA1 4710/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ACE 6/4885ACE2 11/4885CMA1 593/4885

“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.