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SCHEMBL2858051

SCHEMBL2858051

COC(=O)[C@H](Cc1c(Br)[nH]c2cc(Br)c(OC)cc12)NC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 6/20 0.62
▸ MTNR1B P49286 6/20 0.62
▸ LMNA P02545 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ NPBWR1 P48145 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL14219210 0.89 MTNR1A (0.52) MTNR1AMTNR1BLMNAL3MBTL1GRIN2D
SCHEMBL2858297 0.80 MTNR1A (0.41) MTNR1AMTNR1BKMT2AMEN1NPBWR1
SCHEMBL2867535 0.78 MTNR1A (0.41) MTNR1AMTNR1BLMNAKMT2AMEN1
SCHEMBL4393644 0.77 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL15242308 0.75 MTNR1A (0.37) MTNR1AMTNR1BLMNAKMT2AMEN1
SCHEMBL2853420 0.72 ALDH1A1 (0.37) MTNR1AMTNR1BLMNAL3MBTL1KMT2A
SCHEMBL7894816 0.69 MTNR1A (0.80) MTNR1AMTNR1BLMNAL3MBTL1KDM4E
SCHEMBL7086829 0.69 NPSR1 (0.59) MTNR1AMTNR1BLMNAL3MBTL1GRIN2D
SCHEMBL8946990 0.68 MTNR1A (0.55) MTNR1AMTNR1BLMNAL3MBTL1GRIN2D
SCHEMBL29555456 0.67 MTNR1A (0.53) MTNR1AMTNR1BLMNAL3MBTL1GRIN2D

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911744-B1 TRYPTOPHAN DERIVATIVE AND USE THEREOF SOMEI MASANORI (JP) 2013-09-04 — — EP disclosed
EP-1911744-B1 TRYPTOPHAN DERIVATIVE AND USE THEREOF SOMEI MASANORI (JP) 2013-09-04 — — EP disclosed
US-7659304-B2 Tryptophan derivative and application thereof SOMEI MASANORI 2010-02-09 — — US disclosed
US-7659304-B2 Tryptophan derivative and application thereof SOMEI MASANORI 2010-02-09 — — US disclosed
US-7659304-B2 Tryptophan derivative and application thereof SOMEI MASANORI 2010-02-09 — — US disclosed
US-20090054511-A1 Tryptophan derivative and application thereof SOMEI MASANORI 2009-02-26 — — US disclosed
US-20090054511-A1 Tryptophan derivative and application thereof SOMEI MASANORI 2009-02-26 — — US disclosed
US-20090054511-A1 Tryptophan derivative and application thereof SOMEI MASANORI 2009-02-26 — — US disclosed
EP-1911744-A1 TRYPTOPHAN DERIVATIVE AND USE THEREOF Somei, Masanori (JP) 2008-04-16 — — EP disclosed
EP-1911744-A1 TRYPTOPHAN DERIVATIVE AND USE THEREOF Somei, Masanori (JP) 2008-04-16 — — EP 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-20090054511-A1 Tryptophan derivative and application thereof TPH1, TPH2, AHR MTNR1A 42/4885MTNR1B 93/4885LMNA 2030/4885

“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.