SCHEMBL21186264

SCHEMBL21186264

N=C(N)NCCCC1NC(=O)C(CCCCNC(=O)CCN2C(=O)C=CC2=O)NC(=O)C(Cc2ccccc2)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 13/20 0.57
▸ ITGAV P06756 10/20 0.57
▸ ITGA5 P08648 4/20 0.57
▸ ITGB1 P05556 2/20 0.57
▸ ITGB5 P18084 4/20 0.53
▸ MC4R P32245 7/20 0.49
▸ MC5R P33032 7/20 0.49
▸ MC3R P41968 7/20 0.49
▸ MC1R Q01726 7/20 0.49
▸ ITGA2B P08514 3/20 0.48

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
SCHEMBL21907003 1.00 ITGB3 (0.57) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL21906964 1.00 ITGB3 (0.57) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL19365167 1.00 ITGB3 (0.57) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL16359838 1.00 ITGB3 (0.57) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL13299963 1.00 ITGB3 (0.57) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL19365171 0.91 ITGB3 (0.47) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL19372512 0.91 ITGB3 (0.47) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL16508340 0.91 ITGB3 (0.47) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL19365170 0.91 ITGB3 (0.47) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL19102249 0.91 ITGB3 (0.47) ITGB3ITGAVITGA5ITGB1ITGB5

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-10870664-B2 Nitrogen-containing macrocyclic conjugates as radiopharmaceuticals THE UNIVERSITY OF MELBOURNE (AU) 2020-12-22 — — US disclosed
US-20190225625-A1 NITROGEN-CONTAINING MACROCYCLIC CONJUGATES AS RADIOPHARMACEUTICALS Clarity Pharmaceuticals Ltd (AU) 2019-07-25 — — 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 (2 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-10870664-B2 Nitrogen-containing macrocyclic conjugates as radiopharmaceuticals NCL, NUDC, C3AR1 ITGB3 516/4885ITGAV 814/4885ITGA5 571/4885
US-20190225625-A1 NITROGEN-CONTAINING MACROCYCLIC CONJUGATES AS RADIOPHARMACEUTICALS NCL, NUDC, C3AR1 ITGB3 516/4885ITGAV 814/4885ITGA5 571/4885

“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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