SCHEMBL26448941

SCHEMBL26448941

CNC(=O)CCOCCOCCOCCN(CCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCn1cc(C)nn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
MGMT P16455 1/20 0.34
FSHR P23945 2/20 0.34
LHCGR P22888 1/20 0.34
GNRHR P30968 7/20 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
SCHEMBL22943217 0.90 MMP2 (0.33) MMP2MMP9MMP8MMP13
SCHEMBL26448965 0.83 MMP2 (0.36) MMP2MMP9MMP8MMP13
SCHEMBL18761189 0.82 HDAC3 (0.35) MMP2MMP9MMP8MMP13
SCHEMBL26448903 0.81 BLM (0.34)
SCHEMBL18858993 0.81 MGMT (0.47) MMP2MMP9MMP8MMP13OPRM1
SCHEMBL26448986 0.80 LGALS3 (0.35) MMP2MMP9MMP8MMP13
SCHEMBL27017059 0.80 MGMT (0.45) MMP2MMP9MMP8MMP13OPRM1
SCHEMBL26445761 0.74 CRBN (0.34) MGMT
SCHEMBL18750481 0.74 CRBN (0.34) MGMT
SCHEMBL25822100 0.73 LGALS3 (0.40) MMP2MMP9MMP8MMP13OPRM1

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-20230129258-A1 HETEROTANDEM BICYCLIC PEPTIDE COMPLEXES BICYCLETX LIMITED (GB) 2023-04-27 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-20230129258-A1 HETEROTANDEM BICYCLIC PEPTIDE COMPLEXES TAP1, TIMCC, CD81 MMP2 2971/4885MMP9 2522/4885MMP8 2136/4885

“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.