SCHEMBL25819734

SCHEMBL25819734

Cc1cn(CCOCCNC(=O)CN(C)C)nn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
SLC9A3 P48764 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 2/20 0.31
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31
AURKB Q96GD4 1/20 0.31
STK17A Q9UEE5 1/20 0.31
HDAC3 O15379 5/20 0.31
HDAC4 P56524 5/20 0.31
HDAC1 Q13547 5/20 0.31
HDAC7 Q8WUI4 5/20 0.31
HDAC2 Q92769 5/20 0.31
HDAC10 Q969S8 5/20 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
SCHEMBL25819729 0.86 KMT2A (0.33) POLBSMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL25822262 0.85 HDAC1 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19237476 0.84 CA12 (0.34) SMN1; SMN2OPRM1OPRD1OPRK1KDM4E
SCHEMBL12377430 0.84 SPR (0.37) POLBALDH1A1LMNAKDM4E
SCHEMBL15281169 0.82 MTNR1A (0.35) SLC9A3HDAC3HDAC4HDAC1HDAC7
SCHEMBL15281105 0.77 RAB9A (0.32) SMN1; SMN2ALDH1A1LMNANPSR1KDM4E
SCHEMBL25819728 0.76 DPP4 (0.35) POLBALDH1A1
SCHEMBL18761189 0.76 HDAC3 (0.35) POLBSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL29310049 0.75 HPGD (0.43) SMN1; SMN2ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL18850696 0.74 DPP4 (0.35)

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-20230220008-A1 MULTIMERIC BICYCLIC PEPTIDE LIGANDS BICYCLETX LIMITED (GB) 2023-07-13 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-20230220008-A1 MULTIMERIC BICYCLIC PEPTIDE LIGANDS CD40, TNFSF11, TNFRSF9 POLB 4782/4885SMN1; SMN2 3088/4885OPRM1 2236/4885

“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.