SCHEMBL10168837

SCHEMBL10168837

CN[C@@H](CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 3/20 0.62
▸ KISS1R Q969F8 17/20 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
SCHEMBL14685610 0.92 KISS1R (0.62) ECE1KISS1R
SCHEMBL30464865 0.92 NPY4R (0.61) ECE1KISS1R
SCHEMBL3497693 0.91 KISS1R (0.62) ECE1KISS1R
SCHEMBL30464857 0.90 NPY4R (0.61) ECE1KISS1R
SCHEMBL30436748 0.90 KISS1R (0.60) ECE1KISS1R
SCHEMBL10168301 0.89 KISS1R (0.58) ECE1KISS1R
SCHEMBL17849829 0.88 KISS1R (0.56) KISS1R
SCHEMBL17849805 0.88 KISS1R (0.56) KISS1R
SCHEMBL29825066 0.88 NPY4R (0.61) KISS1R
SCHEMBL16421640 0.88 KISS1R (0.52) ECE1KISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028888-A1 APJ RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2012-02-02 — — 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-20120028888-A1 APJ RECEPTOR COMPOUNDS APLNR, AP1G1, AP2B1 ECE1 2459/4885KISS1R 1243/4885

“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.

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