SCHEMBL25835891

SCHEMBL25835891

CCCNC(=O)CCOCCN

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.40
MCL1 Q07820 1/20 0.40
SLC6A5 Q9Y345 2/20 0.40
TLR2 O60603 2/20 0.39
CNR1 P21554 2/20 0.39
TSHR P16473 1/20 0.39
NAAA Q02083 1/20 0.38
CTSD P07339 1/20 0.38
FAAH O00519 3/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
DNM1 Q05193 2/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL12581765 0.95 SLC6A5 (0.37) CASP2MCL1SLC6A5TLR2CNR1
SCHEMBL24335047 0.89 CASP2 (0.50) CASP2SLC6A5TLR2CNR1TSHR
SCHEMBL25835301 0.89 CASP2 (0.46) CASP2SLC6A5TLR2TSHRCTSD
SCHEMBL29336777 0.88 CASP2 (0.49) CASP2SLC6A5TLR2CNR1TSHR
SCHEMBL2124347 0.86 CASP2 (0.44) CASP2MCL1CNR1TSHRNAAA
SCHEMBL25835672 0.85 CASP2 (0.48) CASP2SLC6A5TLR2TSHRCTSD
SCHEMBL16351211 0.85 TSHR (0.48) CASP2SLC6A5TLR2TSHRNAAA
SCHEMBL26033143 0.85 CASP2 (0.59) CASP2SLC6A5TLR2NAAAFAAH
SCHEMBL24860088 0.85 CASP2 (0.59) CASP2SLC6A5TLR2NAAAFAAH
SCHEMBL22338483 0.85 FAAH (0.44) MCL1SLC6A5TLR2TSHRFAAH

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-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS Arrowhead Pharmaceuticals, Inc. 2023-07-20 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-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS CPT1B, MUSK, MYLK2 CASP2 4430/4885MCL1 867/4885SLC6A5 4323/4885

“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.