SCHEMBL683885

SCHEMBL683885

Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3C(=O)O)cc1)C(=O)CC2

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.65
TBXA2R P21731 1/20 0.65
AGTR2 P50052 1/20 0.65
PDE3A Q14432 1/20 0.65

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
SCHEMBL683804 0.82 AGTR1 (0.66) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL14672024 0.82 AGTR1 (0.56) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL13714544 0.80 AGTR1 (0.68) AGTR1TBXA2RAGTR2PDE3A
Tasosartan SCHEMBL49627 0.79 AGTR1 (1.00) AGTR1TBXA2RAGTR2PDE3A
Tasosartan SCHEMBL49626 0.79 AGTR1 (0.71) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL7020979 0.78 AGTR1 (0.65) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL7430153 0.78 AGTR1 (0.62) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL683808 0.77 AGTR1 (0.45) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL7016278 0.77 AGTR1 (0.57) AGTR1TBXA2RAGTR2PDE3A
SCHEMBL6664086 0.76 AGTR1 (0.63) AGTR1TBXA2RAGTR2PDE3A

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 3 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-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 AGTR1 3252/4885TBXA2R 442/4885AGTR2 2610/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF AGTR1 8/4885TBXA2R 1092/4885AGTR2 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.