SCHEMBL683120

SCHEMBL683120

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
OPRM1 P35372 3/20 0.50
CMA1 P23946 2/20 0.48
ACE P12821 1/20 0.46
NTSR2 O95665 1/20 0.45
NTSR1 P30989 1/20 0.45
SORT1 Q99523 1/20 0.45
OPRD1 P41143 1/20 0.45

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
SCHEMBL683520 0.93 CMA1 (0.55) SLC6A2CMA1ACE
SCHEMBL11271096 0.93 CMA1 (0.55) SLC6A2CMA1ACE
SCHEMBL683525 0.91 CMA1 (0.48) SLC6A2OPRM1CMA1ACEOPRD1
SCHEMBL11282561 0.90 SLC6A2 (0.56) SLC6A2OPRM1CMA1ACEOPRD1
SCHEMBL683119 0.90 SLC6A2 (0.56) SLC6A2OPRM1CMA1ACEOPRD1
SCHEMBL683073 0.89 SLC6A2 (0.54) SLC6A2OPRM1CMA1ACEOPRD1
SCHEMBL683447 0.89 SLC6A2 (0.53) SLC6A2OPRM1ACENTSR2NTSR1
SCHEMBL683814 0.87 SLC6A2 (0.56) SLC6A2OPRM1ACE
SCHEMBL11276961 0.84 CMA1 (0.54) CMA1ACE
SCHEMBL11287472 0.83 KMT2A (0.50) CMA1ACE

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 924/4885CMA1 4710/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF SLC6A2 376/4885OPRM1 1443/4885CMA1 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.