SCHEMBL3305706

SCHEMBL3305706

CCC(CC(=O)N(C)C)C(=O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 1/20 0.32
PDF Q9HBH1 2/20 0.32
CA2 P00918 2/20 0.31
MAPK1 P28482 1/20 0.31
CA1 P00915 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL4440645 0.83 TSHR (0.46) USP2TSHRALDH1A1PDFCA2
SCHEMBL21253928 0.82 TSHR (0.43) USP2TSHRALDH1A1CHRNB2CHRNB4
SCHEMBL19759002 0.82 ALDH1A1 (0.39) USP2TSHRALDH1A1PDFCA2
SCHEMBL28042046 0.79 PDF (0.48) ALDH1A1CHRNB2CHRNB4CHRNA4PDF
SCHEMBL6339894 0.77 CA1 (0.50) USP2TSHRALDH1A1CA2MAPK1
SCHEMBL6339895 0.77 CA1 (0.50) USP2TSHRALDH1A1CA2MAPK1
SCHEMBL6115797 0.74 CHRM1 (0.48) USP2TSHRALDH1A1PDFCA2
SCHEMBL2874645 0.74 USP2 (0.39) USP2TSHRALDH1A1CA2MAPK1
SCHEMBL15314155 0.74 CHRM1 (0.48) USP2TSHRALDH1A1PDFCA2
SCHEMBL20045056 0.73 ALDH1A1 (0.42) USP2TSHRALDH1A1CHRNB2CHRNB4

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-8580712-B2 Bis(dialkylamide) compounds and diverse applications thereof RHODIA OPERATIONS (FR) 2013-11-12 US disclosed
US-20100113279-A1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS AND DIVERSE APPLICATIONS THEREOF SPECIALTY OPERATIONS FRANCE (FR) 2010-05-06 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-20100113279-A1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS AND DIVERSE APPLICATIONS THEREOF C1R, CBR3, CWC15 USP2 3539/4885TSHR 1446/4885ALDH1A1 3605/4885

“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.