SCHEMBL13416874

SCHEMBL13416874

N=C(N)NCCCC(N)C(=O)Oc1cccc(CCON(O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.37
▸ MTNR1B P49286 2/20 0.37
▸ ACHE P22303 5/20 0.36
▸ FDFT1 P37268 3/20 0.35
▸ FAAH O00519 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY4R P50391 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
SCHEMBL13416894 0.95 MTNR1A (0.39) MTNR1AMTNR1BACHEFDFT1FAAH
SCHEMBL13120730 0.90 NPY4R (0.37) MTNR1AMTNR1BACHEFAAHNPY1R
SCHEMBL13416870 0.88 NPY4R (0.38) NPY1RNPY4R
SCHEMBL13396434 0.85 MTNR1A (0.36) MTNR1AMTNR1BACHEFDFT1FAAH
SCHEMBL13416281 0.83 ACHE (0.44) ACHE
SCHEMBL13416875 0.83 NPY4R (0.38) NPY1RNPY4R
SCHEMBL13396392 0.82 MTNR1A (0.38) MTNR1AMTNR1BFDFT1FAAH
SCHEMBL13417055 0.80 ACHE (0.40) ACHE
SCHEMBL13120725 0.80 MTNR1A (0.35) MTNR1AMTNR1BACHEFAAH
SCHEMBL13416257 0.80 ACHE (0.43) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 — — US disclosed
WO-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 — — WO 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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 MTNR1A 161/4885MTNR1B 76/4885ACHE 540/4885

“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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