SCHEMBL10128095

SCHEMBL10128095

COc1ccc2c(n1)N(C(CO)CO)C(=O)CN2C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.30
MTNR1B P49286 2/20 0.30

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
SCHEMBL16477195 0.68 MAP3K5 (0.31)
SCHEMBL10128097 0.67 OPRL1 (0.34)
SCHEMBL910488 0.63 ALDH1A1 (0.38) MTNR1AMTNR1B
SCHEMBL3327481 0.62 HTR2C (0.34) MTNR1AMTNR1B
SCHEMBL5372018 0.62 BMPR1B (0.39) MTNR1AMTNR1B
SCHEMBL20095575 0.61 CYP11B2 (0.38) MTNR1AMTNR1B
SCHEMBL6073495 0.60 CYP11B2 (0.42)
SCHEMBL336178 0.59 PDE10A (0.42)
SCHEMBL22367404 0.59 ALOX5 (0.43)
SCHEMBL15979065 0.58 KCNH2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-20110071155-A1 Tricyclic Nitrogen Containing Compounds And Their Use As Antibacterials GLAXO GROUP LIMITED (GB) 2011-03-24 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 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 (2 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-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB MTNR1A 2886/4885MTNR1B 2101/4885
US-20110071155-A1 Tricyclic Nitrogen Containing Compounds And Their Use As Antibacterials CBR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYCS MTNR1A 3225/4885MTNR1B 3333/4885

“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.