SCHEMBL2742864

SCHEMBL2742864

CNC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.38
▸ NPY1R P25929 9/20 0.38
▸ NPY5R Q15761 8/20 0.38
▸ NPY2R P49146 5/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.34
▸ TLR2 O60603 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ ALOX15 P16050 1/20 0.31

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
SCHEMBL10082825 0.86 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL24306834 0.83 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL25148125 0.82 C3AR1 (0.35) SIRT5ALB
SCHEMBL16299579 0.82 NOD1 (0.32) SIRT5
SCHEMBL6382960 0.81 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2R
SCHEMBL12359232 0.80 NPY4R (0.37) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL1934309 0.79 SIRT5 (0.49) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL24900018 0.79 SIRT5 (0.49) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL8120411 0.79 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RSIRT5
SCHEMBL1388278 0.79 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RSIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859494-B2 Spirocyclically substituted 1,3-propane dioxide derivatives, processes for preparation thereof and use thereof as a medicament SANOFI (FR) 2014-10-14 — — US disclosed
US-8344004-B2 Cyclic pyridyl-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, processes for their preparation and their use as pharmaceuticals SANOFI (FR) 2013-01-01 — — US disclosed
US-8148375-B2 (Cyclopropylphenyl)phenyloxamides, method for the production thereof, and use of same as a medicament SANOFI-AVENTIS (FR) 2012-04-03 — — US disclosed
US-20120004187-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 — — US disclosed
US-20110224263-A1 Cyclic pyridyl-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2011-09-15 — — 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 (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-20120004187-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT REN, PKD1, AKR1C3 NPY4R 369/4885NPY1R 153/4885NPY5R 660/4885
US-20110224263-A1 Cyclic pyridyl-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, processes for their preparation and their use as pharmaceuticals PPARD, PPARG, PPARA NPY4R 1182/4885NPY1R 929/4885NPY5R 1637/4885

“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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