SCHEMBL420338

SCHEMBL420338

CC(=O)OC(CCCNC(=N)N)C(C)N

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.43
NPY4R P50391 10/20 0.34
NPY1R P25929 7/20 0.34
NPY2R P49146 5/20 0.33
NPY5R Q15761 5/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP7 Q9UHL4 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL419516 0.88 TRPV1 (0.45) TRPV1MEN1KMT2ADPP7TSHR
SCHEMBL419530 0.87 TRPV1 (0.39) TRPV1NPY4RNPY1RNPY2RNPY5R
SCHEMBL15061137 0.83 ALOX15 (0.36) TRPV1NPY4RNPY1RNPY2RNPY5R
SCHEMBL15061139 0.78 ALOX15 (0.38) TRPV1NPY4RNPY1RNPY2RNPY5R
SCHEMBL420644 0.75 TRPV1 (0.47) TRPV1SMN1; SMN2DPP7TSHRTDP1
SCHEMBL420406 0.74 TRPV1 (0.41) TRPV1MEN1KMT2ADPP7TDP1
SCHEMBL25300066 0.74 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5RALOX15
SCHEMBL5635045 0.74 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RALOX15
SCHEMBL446930 0.74 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5RALOX15
SCHEMBL7782787 0.74 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RALOX15

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-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers HENKEL AG & CO. KGAA (DE) 2012-03-15 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-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers H1-0, H1-3, H1-2 TRPV1 1161/4885NPY4R 782/4885NPY1R 849/4885

“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.