SCHEMBL17520282

SCHEMBL17520282

C=CCCCCN(C)C(=O)OCCON

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 3/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
ABCC4 O15439 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL17493274 0.84 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL19214066 0.82 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL17493270 0.81 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL19217021 0.80 DNM1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL19214065 0.78 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL13648392 0.76 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL23225640 0.76 ALDH1A1 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL24131324 0.73 TSHR (0.46) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL19214062 0.73 ALDH1A1 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL12330418 0.71 MAPT (0.42) ALDH1A1LMNAMAPTUSP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10342870-B2 Nanoparticles for drug delivery UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2019-07-09 US disclosed
US-20170224839-A1 NANOPARTICLES FOR DRUG DELIVERY UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2017-08-10 US disclosed
US-20170224839-A1 NANOPARTICLES FOR DRUG DELIVERY UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2017-08-10 US disclosed
WO-2016022845-A1 NANOPARTICLES FOR DRUG DELIVERY UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2016-02-11 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 (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-20170224839-A1 NANOPARTICLES FOR DRUG DELIVERY MSN, CD47, MTHFD1 CHRNB2 2838/4885CHRNA4 3024/4885CHRNB4 3178/4885
US-10342870-B2 Nanoparticles for drug delivery MSN, CD47, MTHFD1 CHRNB2 2838/4885CHRNA4 3024/4885CHRNB4 3178/4885

“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.