SCHEMBL684101

SCHEMBL684101

CC/C=C/c1nc2c(n1Cc1ccc(-c3ccccc3C(=O)O)cc1)C(=O)CCC2

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.49
AGTR1 P30556 4/20 0.49
AGTR2 P50052 4/20 0.49

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
SCHEMBL683781 0.99 PPARG (0.50) PPARGAGTR1AGTR2
SCHEMBL683753 0.90 AGTR1 (0.50) PPARGAGTR1AGTR2
SCHEMBL683794 0.84 AGTR1 (0.52) PPARGAGTR1AGTR2
SCHEMBL683762 0.84 AGTR1 (0.66) PPARGAGTR1AGTR2
SCHEMBL683751 0.83 AGTR1 (0.67) PPARGAGTR1AGTR2
SCHEMBL683748 0.83 AGTR1 (0.53) PPARGAGTR1AGTR2
SCHEMBL683793 0.83 AGTR1 (0.67) PPARGAGTR1AGTR2
SCHEMBL684098 0.81 AGTR1 (0.68) PPARGAGTR1AGTR2
SCHEMBL684099 0.81 PPARG (0.52) PPARGAGTR1AGTR2
SCHEMBL683743 0.80 AGTR1 (0.54) AGTR1AGTR2

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 PPARG 156/4885AGTR1 3252/4885AGTR2 2610/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF PPARG 622/4885AGTR1 8/4885AGTR2 9/4885

“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.