SCHEMBL16508329

SCHEMBL16508329

CCC(=O)NCCCCC1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)O)NC(=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.46
▸ ITGAV P06756 6/20 0.46
▸ ITGB5 P18084 4/20 0.46
▸ ITGA2B P08514 3/20 0.46
▸ ITGB6 P18564 3/20 0.46
▸ ITGB1 P05556 1/20 0.44
▸ ITGA5 P08648 1/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ MC4R P32245 9/20 0.43
▸ MC5R P33032 9/20 0.43
▸ MC3R P41968 9/20 0.43
▸ MC1R Q01726 9/20 0.43
▸ TPSAB1 Q15661 3/20 0.42
▸ HSP90AB1 P08238 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
SCHEMBL19102258 1.00 ITGB3 (0.46) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL19605457 0.88 ITGB3 (0.57) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL24253307 0.88 ITGB3 (0.57) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL19939614 0.87 ITGB3 (0.44) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL21348134 0.87 ITGB3 (0.44) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL19940184 0.81 ITGB3 (0.41) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL16477811 0.81 MC4R (0.44) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL15397366 0.81 ITGB3 (0.60) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL10138534 0.81 ITGB3 (0.60) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL278647 0.81 CACNA1B (0.46) ITGB3ITGAVITGB5ITGA2BITGB6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701694-B2 Nitrogen-containing macrocyclic conjugates as radiopharmaceuticals THE UNIVERSITY OF MELBOURNE (AU) 2017-07-11 — — US disclosed
US-20110293517-A1 Nitrogen-Containing Macrocyclic Conjugates As Radiopharmaceuticals THE UNIVERSITY OF MELBOURNE (AU) 2011-12-01 — — 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-20110293517-A1 Nitrogen-Containing Macrocyclic Conjugates As Radiopharmaceuticals NCL, NUDC, C3AR1 ITGB3 516/4885ITGAV 814/4885ITGB5 414/4885

“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.

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