SCHEMBL12918062

SCHEMBL12918062

CCNCCCC[C@@H]1NC(=O)CSC[C@@H](C(=O)C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 10/20 0.58
▸ MC5R P33032 10/20 0.58
▸ MC3R P41968 10/20 0.58
▸ MC1R Q01726 10/20 0.58
▸ CTSG P08311 2/20 0.54
▸ PLAU P00749 1/20 0.53
▸ ITGB3 P05106 1/20 0.53
▸ ITGB1 P05556 1/20 0.53
▸ ITGAV P06756 1/20 0.53
▸ ITGA5 P08648 1/20 0.53
▸ ITGB5 P18084 1/20 0.53
▸ TSLP Q969D9 4/20 0.52
▸ CACNA1B Q00975 1/20 0.51
▸ GRB7 Q14451 1/20 0.50

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
SCHEMBL12482122 0.95 MC4R (0.57) MC4RMC5RMC3RMC1RCTSG
SCHEMBL9908254 0.94 MC4R (0.56) MC4RMC5RMC3RMC1RCTSG
SCHEMBL10327237 0.94 MC4R (0.57) MC4RMC5RMC3RMC1RCTSG
SCHEMBL12918029 0.93 MC4R (0.57) MC4RMC5RMC3RMC1RCTSG
SCHEMBL9909398 0.93 MC4R (0.59) MC4RMC5RMC3RMC1RCTSG
SCHEMBL13485740 0.93 MC4R (0.58) MC4RMC5RMC3RMC1RCTSG
SCHEMBL13485887 0.93 MC4R (0.57) MC4RMC5RMC3RMC1RCTSG
SCHEMBL13486968 0.91 MC4R (0.57) MC4RMC5RMC3RMC1RCTSG
SCHEMBL14096946 0.90 MC4R (0.59) MC4RMC5RMC3RMC1RCTSG
SCHEMBL14004103 0.89 MC4R (0.61) MC4RMC5RMC3RMC1RCTSG

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-7875701-B2 A radiopharmaceutical based on a clyclic oligopeptide containing a fluorine isotope and the triplet amino acid sequence of arginine-glycine-aspartic acid (RGD); angiogenesis inhibitors by binding to integrin receptors; imaging using tomography; anticariogenic , -tumor and - arthritic agents; cardiotonic GE HEALTHCARE AS (NO) 2011-01-25 — — US disclosed
US-20080095701-A1 Diagnostic Compounds SOLBAKKEN MAGNE 2008-04-24 — — 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-20080095701-A1 Diagnostic Compounds CA13, SLCO1B3, KLK3 MC4R 1747/4885MC5R 1385/4885MC3R 517/4885

“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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