SCHEMBL29857370

SCHEMBL29857370

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.61
▸ NPY1R P25929 9/20 0.61
▸ NPY5R Q15761 8/20 0.61
▸ NPY2R P49146 5/20 0.61
▸ KISS1R Q969F8 2/20 0.54
▸ VIPR2 P41587 2/20 0.53
▸ VIPR1 P32241 1/20 0.53

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
SCHEMBL11886064 1.00 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29458713 1.00 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29458835 0.96 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29857653 0.96 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL11886067 0.96 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL18567090 0.95 NPY4R (0.63) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL18907172 0.94 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29521070 0.94 NPY4R (0.66) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL14706290 0.93 KISS1R (0.54) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL17915900 0.91 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R

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-20220287943-A1 METHOD FOR TREATING KERATIN MATERIAL, COMPRISING THE APPLICATION OF AN ORGANIC C1-C6-ALKOXY-SILANE AND AN AMINO ACID AND/OR AMINO ACID DERIVATIVE HENKEL AG & CO. KGAA (DE) 2022-09-15 — — 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-20220287943-A1 METHOD FOR TREATING KERATIN MATERIAL, COMPRISING THE APPLICATION OF AN ORGANIC C1-C6-ALKOXY-SILANE AND AN AMINO ACID AND/OR AMINO ACID DERIVATIVE KRT18, S100A6, CCNT1 NPY4R 4198/4885NPY1R 3184/4885NPY5R 4243/4885

“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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