SCHEMBL25839728

SCHEMBL25839728

CCCCCNC(=O)CC(C)(C)COCC(C)(C)CN

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.44
FAAH O00519 1/20 0.42
NAAA Q02083 1/20 0.41
EPHX1 P07099 8/20 0.40
SLC6A5 Q9Y345 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DPP7 Q9UHL4 1/20 0.38
RRM1 P23921 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL27142716 0.83 ACHE (0.40) CASP2FAAHNAAAEPHX1MEN1
SCHEMBL25850206 0.82 FAAH (0.43) CASP2FAAHSLC6A5
SCHEMBL21569930 0.81 KDM4E (0.32)
SCHEMBL27109575 0.79 CASP2 (0.41) CASP2FAAHNAAAEPHX1SLC6A5
SCHEMBL26034080 0.75 FAAH (0.47) CASP2FAAHSLC6A5MEN1KMT2A
SCHEMBL25840004 0.75 KDM4E (0.33)
SCHEMBL20417363 0.74 CASP2 (0.56) CASP2FAAHNAAAEPHX1MEN1
SCHEMBL25082495 0.74 KMT2A (0.38) MEN1KMT2AALDH1A1
SCHEMBL22942128 0.74 KDM4E (0.33)
SCHEMBL20121987 0.73 CASP2 (0.59) CASP2FAAHNAAAEPHX1MEN1

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 4430/4885FAAH 2901/4885NAAA 4405/4885

“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.