SCHEMBL683447

SCHEMBL683447

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.53
OPRM1 P35372 2/20 0.51
NTSR2 O95665 5/20 0.46
NTSR1 P30989 5/20 0.46
SORT1 Q99523 4/20 0.46
ACE P12821 1/20 0.46

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
SCHEMBL683506 0.93 ACE (0.54) SLC6A2ACE
SCHEMBL11459782 0.93 ACE (0.54) SLC6A2ACE
SCHEMBL11278066 0.93 ACE (0.54) SLC6A2ACE
SCHEMBL11282561 0.91 SLC6A2 (0.56) SLC6A2OPRM1ACE
SCHEMBL683119 0.91 SLC6A2 (0.56) SLC6A2OPRM1ACE
SCHEMBL682293 0.91 ACE (0.46) SLC6A2OPRM1ACE
SCHEMBL683073 0.90 SLC6A2 (0.54) SLC6A2OPRM1ACE
SCHEMBL683120 0.89 SLC6A2 (0.52) SLC6A2OPRM1NTSR2NTSR1SORT1
SCHEMBL683814 0.88 SLC6A2 (0.56) SLC6A2OPRM1ACE
SCHEMBL11279274 0.86 CMA1 (0.53) SLC6A2ACE

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 SLC6A2 280/4885OPRM1 924/4885NTSR2 63/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF SLC6A2 376/4885OPRM1 1443/4885NTSR2 16/4885

“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.