SCHEMBL12307274

SCHEMBL12307274

CCC(=O)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCNC)NC(=O)CS1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 11/20 0.55
▸ MC5R P33032 11/20 0.55
▸ MC3R P41968 11/20 0.55
▸ MC1R Q01726 10/20 0.55
▸ ITGB3 P05106 2/20 0.50
▸ ITGAV P06756 2/20 0.50
▸ ITGB1 P05556 1/20 0.50
▸ ITGA5 P08648 1/20 0.50
▸ ITGB5 P18084 1/20 0.50
▸ PLAU P00749 1/20 0.49
▸ CACNA1B Q00975 1/20 0.49
▸ CTSG P08311 1/20 0.49
▸ ERBB2 P04626 1/20 0.48
▸ TSLP Q969D9 3/20 0.46

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
SCHEMBL10033240 0.94 MC4R (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL13234351 0.93 MC4R (0.53) MC4RMC5RMC3RMC1RITGB3
SCHEMBL15623628 0.92 MC4R (0.57) MC4RMC5RMC3RMC1RITGB3
SCHEMBL14210733 0.88 ITGB3 (0.56) MC4RMC5RMC3RMC1RITGB3
SCHEMBL14970192 0.88 MC4R (0.56) MC4RMC5RMC3RMC1RITGB3
SCHEMBL12307752 0.87 MC4R (0.53) MC4RMC5RMC3RMC1RITGB3
SCHEMBL13485887 0.87 MC4R (0.57) MC4RMC5RMC3RMC1RITGB3
SCHEMBL12482122 0.86 MC4R (0.57) MC4RMC5RMC3RMC1RITGB3
SCHEMBL12148757 0.86 ITGB3 (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL22970320 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-20110236311-A1 RADIOLABELLING METHODS HAMMERSMITH IMANET LIMITED (GB) 2011-09-29 — — 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-20110236311-A1 RADIOLABELLING METHODS MPI, VIP, FOLH1 MC4R 2577/4885MC5R 2811/4885MC3R 2055/4885

“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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