SCHEMBL19343057

SCHEMBL19343057

CCC(O)CNC(=O)OCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 4/20 0.46
▸ CHRNA4 P43681 4/20 0.46
▸ CHRNB4 P30926 3/20 0.46
▸ CHRNA3 P32297 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ACHE P22303 7/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 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
SCHEMBL21674072 0.86 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2
SCHEMBL19343052 0.82 SMN1; SMN2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2
SCHEMBL1782303 0.80 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2
SCHEMBL19343055 0.75 SMN1; SMN2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2
SCHEMBL13073329 0.74 ACHE (0.72) CHRNB2CHRNA4CHRNB4CHRNA3ACHE
SCHEMBL19034083 0.74 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3ACHE
SCHEMBL17000151 0.74 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL17793980 0.73 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2
SCHEMBL980753 0.73 ACHE (0.56) CHRNB2CHRNA4CHRNB4CHRNA3ACHE
SCHEMBL6889320 0.73 CHRNB2 (0.70) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258741-A1 FATTY ACID CYSTEAMINE CONJUGATES AND THEIR USE AS ACTIVATORS OF AUTOPHAGY CATABASIS PHARMACEUTICALS, INC. (US) 2017-09-14 — — 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-20170258741-A1 FATTY ACID CYSTEAMINE CONJUGATES AND THEIR USE AS ACTIVATORS OF AUTOPHAGY NDUFAB1, ATG7, HADHA CHRNB2 1160/4885CHRNA4 687/4885CHRNB4 1114/4885

“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.

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