SCHEMBL14075648

SCHEMBL14075648

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCN)n2cc(nn2)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 10/20 0.50
▸ MC5R P33032 10/20 0.50
▸ MC3R P41968 10/20 0.50
▸ MC1R Q01726 10/20 0.50
▸ ITGB3 P05106 10/20 0.48
▸ ITGAV P06756 7/20 0.48
▸ ITGA5 P08648 5/20 0.48
▸ ITGB1 P05556 3/20 0.48
▸ ITGB5 P18084 2/20 0.48
▸ ITGA2B P08514 3/20 0.45

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
SCHEMBL14075671 0.98 MC4R (0.50) MC4RMC5RMC3RMC1RITGB3
SCHEMBL14075646 0.94 ITGB3 (0.46) MC4RMC5RMC3RMC1RITGB3
SCHEMBL14262356 0.92 MC4R (0.43) MC4RMC5RMC3RMC1RITGB3
SCHEMBL14075664 0.91 ITGB3 (0.51) MC4RMC5RMC3RMC1RITGB3
SCHEMBL14075719 0.90 ITGB3 (0.54) MC4RMC5RMC3RMC1RITGB3
SCHEMBL14075705 0.90 ITGB3 (0.53) MC4RMC5RMC3RMC1RITGB3
SCHEMBL14075702 0.88 MC4R (0.44) MC4RMC5RMC3RMC1RITGB3
SCHEMBL12808284 0.88 ITGB3 (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL21475019 0.88 ITGB3 (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL7743533 0.88 ITGB3 (0.55) MC4RMC5RMC3RMC1RITGB3

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-20080213175-A1 Click chemistry-derived cyclic peptidomimetics as integrin markers SIEMENS MEDICAL SOLUTIONS USA, INC. 2008-09-04 — — 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-20080213175-A1 Click chemistry-derived cyclic peptidomimetics as integrin markers ITGB1, ITGAM, ITGB3 MC4R 317/4885MC5R 660/4885MC3R 228/4885

“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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