SCHEMBL25836299

SCHEMBL25836299

CCCCc1cn(CCOCCC(=O)NCCOCCNC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)NCCOCCNC(=O)CCOCCn2cc(CCCC)nn2)C(=O)c2ccc(-c3nnc(SC)o3)cc2)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.38
HDAC6 Q9UBN7 4/20 0.35
CRBN Q96SW2 1/20 0.35
OPRM1 P35372 1/20 0.34
ABCG2 Q9UNQ0 3/20 0.34
ABCB1 P08183 2/20 0.34
ABCC1 P33527 2/20 0.34
LGALS3 P17931 2/20 0.34
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
POLB P06746 1/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL26033618 0.93 DRD2 (0.36) DRD2HDAC6CRBNOPRM1ABCG2
SCHEMBL26032130 0.91 DRD2 (0.36) DRD2HDAC6CRBNOPRM1ABCG2
SCHEMBL25835943 0.90 DRD2 (0.37) DRD2HDAC6CRBNOPRM1ABCG2
SCHEMBL26033158 0.86 POLB (0.40) POLBCXCR4
SCHEMBL25835917 0.86 POLB (0.41) POLBCXCR4
SCHEMBL25836367 0.83 DRD2 (0.34) DRD2HDAC6CRBNOPRM1LGALS3
SCHEMBL26032132 0.79 POLB (0.36) POLB
SCHEMBL26032119 0.79 POLB (0.36) POLB
SCHEMBL25835936 0.77 DRD2 (0.42) DRD2OPRM1POLB
SCHEMBL25835937 0.77 DRD2 (0.42) DRD2OPRM1LGALS3

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 DRD2 4154/4885HDAC6 598/4885CRBN 2964/4885

“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.