SCHEMBL683495

SCHEMBL683495

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
SLC6A2 P23975 1/20 0.47
CMA1 P23946 2/20 0.46
ACE P12821 7/20 0.46
DPP4 P27487 1/20 0.44
FAP Q12884 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
ACE2 Q9BYF1 5/20 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
SCHEMBL683514 0.92 CMA1 (0.46) OPRM1OPRD1OPRK1SLC6A2CMA1
SCHEMBL682293 0.91 ACE (0.46) OPRM1OPRD1OPRK1SLC6A2CMA1
SCHEMBL683525 0.91 CMA1 (0.48) OPRM1OPRD1OPRK1SLC6A2CMA1
SCHEMBL11282561 0.90 SLC6A2 (0.56) OPRM1OPRD1SLC6A2CMA1ACE
SCHEMBL683119 0.90 SLC6A2 (0.56) OPRM1OPRD1SLC6A2CMA1ACE
Alacepril SCHEMBL677447 0.90 ACE (0.55) OPRM1SLC6A2CMA1ACEACE2
Alacepril SCHEMBL34559 0.90 ACE (0.55) OPRM1SLC6A2CMA1ACEACE2
Alacepril SCHEMBL3204613 0.90 ACE (0.55) OPRM1SLC6A2CMA1ACEACE2
Alacepril SCHEMBL11460465 0.90 ACE (0.55) OPRM1SLC6A2CMA1ACEACE2
Alacepril SCHEMBL5058556 0.90 ACE (0.55) OPRM1SLC6A2CMA1ACEACE2

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 OPRM1 924/4885OPRD1 755/4885OPRK1 310/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF OPRM1 1443/4885OPRD1 1599/4885OPRK1 501/4885

“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.