SCHEMBL3118071

SCHEMBL3118071

COc1ccc2ncnc(OCC3CCC(O)CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.48
MTNR1A P48039 4/20 0.48
LMNA P02545 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
MAPT P10636 1/20 0.42
GRM1 Q13255 1/20 0.42
ENPP1 P22413 1/20 0.41
EGFR P00533 3/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
MAPK7 Q13164 1/20 0.40
CSF1R P07333 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3117210 0.88 MTNR1B (0.46) MTNR1BMTNR1AIRAK4MAPTGRM1
SCHEMBL3251044 0.87 MTNR1B (0.53) MTNR1BMTNR1ALMNAENPP1EGFR
SCHEMBL3251040 0.87 MTNR1B (0.53) MTNR1BMTNR1ALMNAENPP1EGFR
SCHEMBL5649424 0.84 MTNR1B (0.47) MTNR1BMTNR1ALMNAIRAK4MAPT
SCHEMBL633222 0.82 MTNR1B (0.47) MTNR1BMTNR1AIRAK4MAPTGRM1
SCHEMBL3119598 0.80 EGFR (0.54) MTNR1BMTNR1ALMNAIRAK4MAPT
SCHEMBL6218075 0.77 EGFR (0.40) MTNR1BMTNR1AIRAK4MAPTGRM1
SCHEMBL5503330 0.77 MTNR1B (0.43) MTNR1BMTNR1AIRAK4MAPTGRM1
SCHEMBL5651621 0.76 EGFR (0.41) MTNR1BMTNR1ALMNAIRAK4EGFR
SCHEMBL3128063 0.76 EGFR (0.41) MTNR1BMTNR1ALMNAIRAK4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed
EP-1551829-B1 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY MORPHOCHEM AG KOMB CHEMIE (DE) 2010-04-07 EP disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
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
EP-1551829-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2005-07-13 EP disclosed
WO-2004035569-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2004-04-29 WO 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 MTNR1B 2889/4885MTNR1A 3313/4885LMNA 4060/4885

“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.