SCHEMBL18924869

SCHEMBL18924869

CC(C)COC(=O)N(C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
NR1H3 Q13133 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ELANE P08246 1/20 0.36
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
TDP1 Q9NUW8 2/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P2RX4 Q99571 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL23517941 0.83 CHRNB2 (0.33) SMN1; SMN2GAAMAPK1NR1H3CHRNB2
SCHEMBL3932127 0.81 CHRNB2 (0.52) TSHRSMN1; SMN2GAAMAPK1NR1H3
SCHEMBL9357927 0.79 ALDH1A1 (0.42) GAAALDH1A1CHRNB2CHRNA4L3MBTL1
SCHEMBL12988859 0.79 TSHR (0.45) TSHRSMN1; SMN2GAAMAPK1NR1H3
SCHEMBL28481183 0.78 TSHR (0.37) TSHRSMN1; SMN2GAAMAPK1NR1H3
SCHEMBL12987849 0.77 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRM2
SCHEMBL20697575 0.77 TSHR (0.43) TSHRSMN1; SMN2GAAMAPK1NR1H3
SCHEMBL20165974 0.77 TSHR (0.36) TSHRSMN1; SMN2GAAMAPK1NR1H3
SCHEMBL23436678 0.76 TSHR (0.42) TSHRSMN1; SMN2GAAMAPK1NR1H3
SCHEMBL6440136 0.76 TSHR (0.42) TSHRSMN1; SMN2GAAMAPK1NR1H3

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-10723728-B2 Prodrugs of Nh-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2020-07-28 US disclosed
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 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-10723728-B2 Prodrugs of Nh-acidic compounds SI, NAAA, NIT2 TSHR 3738/4885SMN1; SMN2 606/4885GAA 282/4885

“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.