SCHEMBL11948349

SCHEMBL11948349

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCNC(=O)c2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 7/20 0.51
▸ MC5R P33032 7/20 0.51
▸ MC3R P41968 7/20 0.51
▸ MC1R Q01726 7/20 0.51
▸ ITGB3 P05106 13/20 0.49
▸ ITGAV P06756 9/20 0.49
▸ ITGB5 P18084 6/20 0.49
▸ ITGA2B P08514 4/20 0.49
▸ ITGB1 P05556 2/20 0.49
▸ ITGA5 P08648 2/20 0.49

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
SCHEMBL21524963 0.91 ITGB3 (0.54) MC4RMC5RMC3RMC1RITGB3
SCHEMBL21524962 0.90 ITGB3 (0.52) MC4RMC5RMC3RMC1RITGB3
SCHEMBL21524976 0.90 ITGB3 (0.52) MC4RMC5RMC3RMC1RITGB3
SCHEMBL21766911 0.90 ITGB3 (0.58) MC4RMC5RMC3RMC1RITGB3
SCHEMBL20888358 0.90 ITGB3 (0.58) MC4RMC5RMC3RMC1RITGB3
SCHEMBL19605458 0.90 ITGB3 (0.58) MC4RMC5RMC3RMC1RITGB3
SCHEMBL26220055 0.89 ITGB3 (0.52) MC4RMC5RMC3RMC1RITGB3
SCHEMBL14075664 0.87 ITGB3 (0.51) MC4RMC5RMC3RMC1RITGB3
SCHEMBL23018575 0.86 ITGB3 (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL12496488 0.86 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-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-26 — — 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-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups TMEM14C, PAICS, QPCT MC4R 583/4885MC5R 316/4885MC3R 201/4885

“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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