SCHEMBL5652689

SCHEMBL5652689

COc1ccc2nccc(CC(O)N3CCOCC3CNC(=O)O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
ROCK2 O75116 1/20 0.42
SLC2A1 P11166 2/20 0.41
LMNA P02545 1/20 0.40
KCNH2 Q12809 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5646708 0.87 MTNR1A (0.46) MTNR1AMTNR1BROCK2SLC2A1LMNA
SCHEMBL3691395 0.85 LMNA (0.39) MTNR1AMTNR1BROCK2SLC2A1LMNA
SCHEMBL5650079 0.76 MTNR1A (0.46) MTNR1AMTNR1BROCK2SLC2A1LMNA
SCHEMBL3697078 0.73 LMNA (0.40) MTNR1AMTNR1BROCK2SLC2A1LMNA
SCHEMBL3692223 0.72 KCNH2 (0.40) MTNR1AMTNR1BROCK2SLC2A1LMNA
SCHEMBL5647894 0.71 SLC2A1 (0.53) SLC2A1KCNH2
SCHEMBL3685784 0.70 MTNR1A (0.42) MTNR1AMTNR1BROCK2SLC2A1LMNA
SCHEMBL3689194 0.69 KCNH2 (0.50) SLC2A1KCNH2KDM4E
SCHEMBL5652817 0.68 KCNH2 (0.54) MTNR1AMTNR1BSLC2A1KCNH2
SCHEMBL3685788 0.68 ROCK2 (0.42) MTNR1AMTNR1BROCK2SLC2A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 MTNR1A 3313/4885MTNR1B 2889/4885ROCK2 3522/4885

“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.