SCHEMBL21099141

SCHEMBL21099141

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 19/20 0.65
▸ NPY1R P25929 11/20 0.65
▸ NPY5R Q15761 10/20 0.65
▸ NPY2R P49146 7/20 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
SCHEMBL29492123 0.89 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2R
SCHEMBL9326037 0.89 NPY4R (0.62) NPY4RNPY1RNPY5RNPY2R
SCHEMBL18646659 0.89 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2R
SCHEMBL18758870 0.88 NPY4R (0.72) NPY4RNPY1RNPY5RNPY2R
SCHEMBL7207977 0.88 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2R
SCHEMBL13035306 0.88 NPY4R (0.72) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29450696 0.87 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2R
SCHEMBL2790911 0.86 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R
SCHEMBL2790907 0.86 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29779431 0.86 NPY4R (0.69) NPY4RNPY1RNPY5RNPY2R

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-20190183962-A1 ANGIOTENSIN COMPOSITIONS AND METHODS RELATED THERETO LA JOLLA PHARMA, LLC 2019-06-20 — — 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-20190183962-A1 ANGIOTENSIN COMPOSITIONS AND METHODS RELATED THERETO ACE, AGT, AGTR2 NPY4R 411/4885NPY1R 643/4885NPY5R 477/4885

“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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