SCHEMBL17015152

SCHEMBL17015152

COC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.50
▸ NPY1R P25929 9/20 0.50
▸ NPY5R Q15761 8/20 0.41
▸ NPY2R P49146 5/20 0.41
▸ FOLH1 Q04609 1/20 0.39
▸ TSHR P16473 1/20 0.37
▸ PDF Q9HBH1 1/20 0.35

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
SCHEMBL21782578 0.90 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL27431216 0.90 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL27431217 0.90 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL23836846 0.89 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2R
SCHEMBL16263594 0.87 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL30434218 0.87 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2R
Hydrochloric Acid SCHEMBL29508688 0.86 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2R
Hydrochloric Acid SCHEMBL29726986 0.86 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2R
Hydrochloric Acid SCHEMBL30380134 0.86 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2R
SCHEMBL20072813 0.85 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RPDF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247324-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS UNIV NEW YORK (US) 2017-08-31 — — US disclosed
US-9593142-B2 Aldehyde capture ligation technology for synthesis of amide bonds NEW YORK UNIVERSITY (US) 2017-03-14 — — US disclosed
US-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 — — US disclosed
US-20150232504-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS NEW YORK UNIVERSITY (US) 2015-08-20 — — 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 (3 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-20170247324-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS ALDH3A1, ALDH2, ALDH1A1 NPY4R 2737/4885NPY1R 3496/4885NPY5R 3191/4885
US-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 GLRA1, GRM5, TRHR NPY4R 34/4885NPY1R 21/4885NPY5R 4/4885
US-20150232504-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS ALDH3A1, ALDH2, ALDH1A1 NPY4R 2737/4885NPY1R 3496/4885NPY5R 3191/4885

“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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