SCHEMBL17553002

SCHEMBL17553002

N=C(N)NCCCC(NC=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.37
▸ OTC P00480 1/20 0.36
▸ C3AR1 Q16581 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NPY4R P50391 8/20 0.34
▸ NPY1R P25929 6/20 0.34
▸ NPY2R P49146 4/20 0.34
▸ NPY5R Q15761 4/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NOD1 Q9Y239 2/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ FOLH1 Q04609 2/20 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
SCHEMBL27494369 1.00 DDAH1 (0.37) DDAH1OTCC3AR1ALOX15NPY4R
SCHEMBL6150091 0.95 FOLH1 (0.38) DDAH1ALOX15NPY4RNPY1RNPY2R
SCHEMBL12210960 0.89 NPY4R (0.39) DDAH1ALOX15NPY4RNPY1RNPY2R
SCHEMBL21327789 0.86 DDAH1 (0.39) DDAH1OTCC3AR1ALOX15NPY4R
SCHEMBL10929177 0.84 NPY4R (0.38) ALOX15NPY4RNPY1RNPY2RNPY5R
SCHEMBL27968072 0.84 C3AR1 (0.34) DDAH1OTCC3AR1ALOX15NPY4R
SCHEMBL30611721 0.83 ITGB3 (0.34) DDAH1OTCC3AR1ALOX15NPY4R
SCHEMBL22409687 0.83 NPY4R (0.36) ALOX15NPY4RNPY1RNPY2RNPY5R
SCHEMBL30068909 0.83 ALOX15 (0.39) DDAH1OTCC3AR1ALOX15NPY4R
SCHEMBL29836396 0.83 ALOX15 (0.39) DDAH1OTCC3AR1ALOX15NPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148070-A1 AMINO ACID DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH SA (CH) 2023-05-11 — — US disclosed
WO-2021209345-A1 AMINO ACID DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH SA (CH) 2021-10-21 — — WO disclosed
US-20160058683-A1 Hair-Straightening Compositions and Methods Cosphatech LLC 2016-03-03 — — 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 (2 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-20160058683-A1 Hair-Straightening Compositions and Methods HOGA1, SORD, OAT DDAH1 805/4885OTC 11/4885C3AR1 3579/4885
US-20230148070-A1 AMINO ACID DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS GLUL, TAS2R5, ARGLU1 DDAH1 378/4885OTC 188/4885C3AR1 3141/4885

“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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