SCHEMBL25819729

SCHEMBL25819729

CNCCC(=O)N(C)CC(=O)NCCOCCn1cc(C)nn1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LGALS3 P17931 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL25819734 0.86 POLB (0.34) OPRM1OPRD1OPRK1POLBSMN1; SMN2
SCHEMBL19237476 0.78 CA12 (0.34) KMT2AOPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL15281169 0.78 MTNR1A (0.35) LGALS3TSHR
SCHEMBL25819728 0.78 DPP4 (0.35) POLBALDH1A1
SCHEMBL12377430 0.78 SPR (0.37) POLBTSHRALDH1A1LMNAKDM4E
SCHEMBL18850696 0.77 DPP4 (0.35)
SCHEMBL22906473 0.77 DPP4 (0.35)
SCHEMBL18761189 0.75 HDAC3 (0.35) POLBSMN1; SMN2LGALS3
SCHEMBL19780569 0.74 DPP4 (0.34) ALDH1A1LMNA
SCHEMBL15281105 0.73 RAB9A (0.32) SMN1; SMN2LGALS3ALDH1A1LMNANPSR1

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 KMT2A 4307/4885OPRM1 2236/4885OPRD1 3546/4885

“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.