SCHEMBL23083030

SCHEMBL23083030

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@@H](C(C)C)C(C)(C)C

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 19/20 0.79
LTB4R2 Q9NPC1 2/20 0.77
ABCB11 O95342 1/20 0.77
GP6 Q9HCN6 1/20 0.77
AGTR2 P50052 8/20 0.54

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
SCHEMBL10046740 0.95 AGTR1 (0.76) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL30602652 0.90 AGTR1 (0.83) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL16691910 0.89 AGTR1 (0.82) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL18387996 0.88 AGTR1 (1.00) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL16482977 0.87 AGTR1 (0.86) AGTR1LTB4R2ABCB11GP6AGTR2
Valsartan SCHEMBL29518879 0.87 AGTR1 (1.00) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL20257282 0.87 AGTR1 (0.86) AGTR1LTB4R2ABCB11GP6AGTR2
Valsartan SCHEMBL678796 0.87 AGTR1 (1.00) AGTR1LTB4R2ABCB11GP6AGTR2
Valsartan SCHEMBL24722321 0.87 AGTR1 (1.00) AGTR1LTB4R2ABCB11GP6AGTR2
Valsartan SCHEMBL678231 0.87 AGTR1 (1.00) AGTR1LTB4R2ABCB11GP6AGTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175667-A1 Extracellular Matrices, Uses Thereof, and Methods of Making Extracellular Matrices THE JOHNS HOPKINS UNIVERSITY 2022-06-09 US disclosed
US-20210069375-A1 Extracellular Matrices, Uses thereof, and Method for Making Extracellular Matrices THE JOHNS HOPKINS UNIVERSITY 2021-03-11 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-20210069375-A1 Extracellular Matrices, Uses thereof, and Method for Making Extracellular Matrices MMP1, MATR3, COL1A1 AGTR1 3981/4885LTB4R2 553/4885ABCB11 1522/4885
US-20220175667-A1 Extracellular Matrices, Uses Thereof, and Methods of Making Extracellular Matrices EPCAM, CD44, MATR3 AGTR1 3754/4885LTB4R2 629/4885ABCB11 1588/4885

“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.