SCHEMBL683068

SCHEMBL683068

NC(=O)[C@@H]1CCCN1C(=O)CCS

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.50
ACE P12821 1/20 0.50
HTR1A P08908 2/20 0.45
HTR7 P34969 2/20 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
SCHEMBL683796 0.86 DPP4 (0.46) DPP4ACEHTR1AHTR7
SCHEMBL19479892 0.85 DPP4 (0.50) DPP4HTR1AHTR7
SCHEMBL6789982 0.84 ACE (0.69) ACE
SCHEMBL6789984 0.84 ACE (0.69) ACE
SCHEMBL683432 0.84 ACE (0.69) ACE
SCHEMBL10884099 0.84 DPP4 (0.54) DPP4ACEHTR1AHTR7
SCHEMBL13954202 0.84 DPP4 (0.51) DPP4ACEHTR1AHTR7
SCHEMBL14463150 0.83 DPP4 (0.51) DPP4ACEHTR1AHTR7
SCHEMBL29540069 0.83 DPP4 (0.53) DPP4ACEHTR1AHTR7
SCHEMBL7656406 0.81 DPP4 (0.55) DPP4ACEHTR1AHTR7

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 5 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
EP-1629000-B1 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2009-02-18 EP 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 DPP4 1794/4885ACE 4514/4885HTR1A 1267/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF DPP4 151/4885ACE 6/4885HTR1A 1265/4885

“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.