SCHEMBL3913865

SCHEMBL3913865

O=C(O)N[C@H]1COc2c(cccc2-c2ccccc2)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 10/20 0.46
TRPV1 Q8NER1 4/20 0.39
CCKBR P32239 3/20 0.38
CCKAR P32238 2/20 0.38
RIPK3 Q9Y572 1/20 0.37

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
SCHEMBL12345899 0.85 BRD4 (0.38) RIPK1TRPV1
SCHEMBL3914941 0.81 RIPK1 (0.46) RIPK1RIPK3
SCHEMBL15565183 0.80 RIPK1 (0.43) RIPK1TRPV1
SCHEMBL15565126 0.79 RIPK1 (0.63) RIPK1
SCHEMBL19207856 0.79 RIPK1 (0.63) RIPK1
SCHEMBL12345900 0.78 ADRA2A (0.38)
Hydrochloric Acid SCHEMBL2236148 0.77 ANPEP (0.39)
SCHEMBL2235776 0.76 MEN1 (0.37) RIPK1TRPV1CCKBRCCKAR
SCHEMBL2235041 0.74 METAP1 (0.41) RIPK1TRPV1CCKBRCCKAR
SCHEMBL2235045 0.74 METAP1 (0.41) RIPK1TRPV1CCKBRCCKAR

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-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-03-19 US disclosed
EP-2029555-A2 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2009-03-04 EP disclosed
WO-2007135295-A2 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2007-11-29 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-20090075971-A1 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME CYP4B1, AADAC, ALKBH3 RIPK1 4874/4885TRPV1 1943/4885CCKBR 612/4885

“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.