SCHEMBL9993019

SCHEMBL9993019

CC(C)(C)OC(=O)N1CCC2(CC(NC(=O)OCc3cc(C(N)=O)no3)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.45
NAMPT P43490 6/20 0.40
CYP11B2 P19099 1/20 0.38
PKM P14618 1/20 0.38
HDAC2 Q92769 2/20 0.37
ACACB O00763 2/20 0.36
CDK9 P50750 1/20 0.36
HDAC1 Q13547 1/20 0.35
ENPP2 Q13822 1/20 0.35
ATXN2 Q99700 1/20 0.35
GPR119 Q8TDV5 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
SCHEMBL9994209 0.95 NAMPT (0.44) SCD5NAMPTPKMGPR119
SCHEMBL9994521 0.87 ENPP2 (0.40) SCD5ENPP2ATXN2
SCHEMBL9994514 0.85 NAMPT (0.44) SCD5NAMPTPKMGPR119
SCHEMBL9993064 0.84 ENPP2 (0.37) ENPP2ATXN2
SCHEMBL9993018 0.83 NAMPT (0.53) SCD5NAMPTPKMGPR119
SCHEMBL9993007 0.82 MEN1 (0.39) SCD5PKMENPP2ATXN2
SCHEMBL9994673 0.80 NAMPT (0.47) SCD5NAMPTCYP11B2PKMGPR119
SCHEMBL9994309 0.75 KMT2A (0.37) ENPP2ATXN2GPR119
SCHEMBL12039798 0.73 RET (0.37) HDAC1
SCHEMBL29179859 0.72 ENPP2 (0.48) ENPP2ATXN2

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-8889702-B2 Derivatives of azaspiranyl-alkylcarbamates of 5-member heterocyclic compounds, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-11-18 US disclosed
US-20110319381-A1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-29 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-20110319381-A1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT9, IDH3B, DHFR SCD5 2039/4885NAMPT 54/4885CYP11B2 332/4885

“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.