SCHEMBL683525

SCHEMBL683525

COc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)CSC(=O)C(C)(C)C)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 9/20 0.48
OPRM1 P35372 2/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
ACE P12821 7/20 0.44
SLC6A2 P23975 1/20 0.44
ACE2 Q9BYF1 5/20 0.42

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
SCHEMBL683120 0.91 SLC6A2 (0.52) CMA1OPRM1OPRD1ACESLC6A2
SCHEMBL683495 0.91 OPRM1 (0.48) CMA1OPRM1OPRD1OPRK1ACE
SCHEMBL683520 0.91 CMA1 (0.55) CMA1ACESLC6A2ACE2
SCHEMBL11271096 0.91 CMA1 (0.55) CMA1ACESLC6A2ACE2
SCHEMBL683514 0.90 CMA1 (0.46) CMA1OPRM1OPRD1OPRK1ACE
SCHEMBL682293 0.89 ACE (0.46) CMA1OPRM1OPRD1OPRK1ACE
SCHEMBL683121 0.88 ACE (0.49) CMA1OPRM1OPRD1OPRK1ACE
SCHEMBL11275092 0.87 CMA1 (0.49) CMA1OPRM1OPRD1OPRK1ACE
SCHEMBL11276961 0.83 CMA1 (0.54) CMA1ACEACE2
SCHEMBL11287472 0.81 KMT2A (0.50) CMA1ACEACE2

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 CMA1 4710/4885OPRM1 924/4885OPRD1 755/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF CMA1 593/4885OPRM1 1443/4885OPRD1 1599/4885

“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.