SCHEMBL25840750

SCHEMBL25840750

CC(=O)CNC(=O)CCCCNc1cc(C)ccn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 9/20 0.53
ITGB6 P18564 8/20 0.53
ITGB3 P05106 8/20 0.53
ITGB5 P18084 7/20 0.53
ITGA2B P08514 4/20 0.52
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ITGB1 P05556 1/20 0.44
ITGA5 P08648 1/20 0.44
MAPT P10636 1/20 0.42
KDM4D Q6B0I6 1/20 0.41

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
SCHEMBL24341476 0.89 ITGAV (0.52) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL26033637 0.87 ITGAV (0.52) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL26031769 0.87 ITGAV (0.50) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL7039474 0.86 ITGAV (0.57) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL30446650 0.86 ITGAV (0.54) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6589410 0.85 ITGB3 (0.53) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL26033788 0.84 ITGAV (0.50) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL26033791 0.83 ITGAV (0.49) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL28804474 0.82 ITGAV (0.56) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL5856027 0.81 ITGB3 (0.58) ITGAVITGB6ITGB3ITGB5ITGA2B

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 ITGAV 836/4885ITGB6 874/4885ITGB3 1400/4885

“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.