SCHEMBL24221401

SCHEMBL24221401

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 14/20 0.37
▸ NPY1R P25929 10/20 0.37
▸ NPY5R Q15761 9/20 0.37
▸ NPY2R P49146 6/20 0.37
▸ ALOX15 P16050 1/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM1 P11229 1/20 0.33

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
SCHEMBL1276063 1.00 NPY4R (0.37) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL20104601 0.86 NPY4R (0.35) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL13131305 0.86 NPY4R (0.35) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL20130678 0.84 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL18882585 0.84 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL24157931 0.83 NPY4R (0.40) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL22409687 0.83 NPY4R (0.36) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL14031807 0.83 ALOX15 (0.37) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL29005731 0.81 C3AR1 (0.43) NPY4RNPY1RNPY5RNPY2RALOX15
SCHEMBL12971304 0.81 C3AR1 (0.43) NPY4RNPY1RNPY5RNPY2RALOX15

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-20220024975-A1 ALPHA-V BETA-6 INTEGRIN LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2022-01-27 — — 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-20220024975-A1 ALPHA-V BETA-6 INTEGRIN LIGANDS AND USES THEREOF ITGAV, ITGA6, ITGB6 NPY4R 3772/4885NPY1R 4204/4885NPY5R 4250/4885

“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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