SCHEMBL12600308

SCHEMBL12600308

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(C)=O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.62
LTB4R2 Q9NPC1 9/20 0.62
ABCB11 O95342 1/20 0.62
GP6 Q9HCN6 1/20 0.62

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
SCHEMBL13816890 1.00 AGTR1 (0.62) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL21408286 0.93 AGTR1 (0.70) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL21408284 0.93 AGTR1 (0.70) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL29406387 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL157179 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL2542 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL21408288 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL1560689 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL2329 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6
Valsartan SCHEMBL2328 0.93 AGTR1 (0.72) AGTR1LTB4R2ABCB11GP6

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-7943647-B2 Process for the preparation of tetrazole derivatives from organo aluminium azides NOVARTIS AG (CH) 2011-05-17 US disclosed
US-20070043098-A1 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS PHARMACEUTICALS CORPORATION 2007-02-22 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 (1 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-20070043098-A1 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides ABL1, TBCA, TBC1D5 AGTR1 2005/4885LTB4R2 2266/4885ABCB11 1648/4885

“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.