SCHEMBL23125478

SCHEMBL23125478

CC(=O)OCOC(=O)N(C)CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PTPN1 P18031 1/20 0.32
TSHR P16473 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
SCHEMBL6440136 0.78 TSHR (0.42) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL12516496 0.78 ALDH1A1 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL12440333 0.78 ALDH1A1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL25019697 0.77 CA12 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CA12
SCHEMBL12987377 0.76 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CA12
SCHEMBL23125435 0.73 TSHR (0.38) CA12CA1CA2CA9TSHR
SCHEMBL24477538 0.73 PIK3CD (0.44) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
Ammonia Solution, Strong SCHEMBL29011828 0.73 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL14011288 0.73 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3CA12
SCHEMBL11682685 0.73 CA1 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3MEN1

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-10954250-B2 Prodrugs of secondary amine compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2021-03-23 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-10954250-B2 Prodrugs of secondary amine compounds HNMT, MAOB, UGT1A1 CHRNB2 1011/4885CHRNA4 1587/4885CHRNB4 1499/4885

“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.