SCHEMBL3689911

SCHEMBL3689911

COc1ccc2ncnc(CCC3(O)CCC(NCC=Cc4ccccc4)CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
EGFR P00533 4/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
ERBB2 P04626 1/20 0.37
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 3/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
CSF1R P07333 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL5648828 1.00 MTNR1A (0.46) MTNR1AMTNR1BEGFRIRAK4ERBB2
SCHEMBL5647167 0.87 MTNR1A (0.43) MTNR1AMTNR1BEGFRIRAK4KCNH2
SCHEMBL3687844 0.87 MTNR1A (0.43) MTNR1AMTNR1BEGFRIRAK4KCNH2
SCHEMBL3699153 0.87 KCNH2 (0.44) MTNR1AMTNR1BKCNH2
SCHEMBL3699150 0.87 KCNH2 (0.44) MTNR1AMTNR1BKCNH2
SCHEMBL3692130 0.82 MTNR1A (0.51) MTNR1AMTNR1BEGFRIRAK4KCNH2
SCHEMBL3697253 0.79 MTNR1A (0.45) MTNR1AMTNR1BEGFRIRAK4ERBB2
SCHEMBL3695760 0.78 CLK4 (0.46) MTNR1AMTNR1BEGFRIRAK4ERBB2
SCHEMBL3694275 0.78 MTNR1B (0.54) MTNR1AMTNR1BEGFRIRAK4ERBB2
SCHEMBL5652187 0.77 MCHR1 (0.46) MTNR1AMTNR1BIRAK4KCNH2MCHR1

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 5 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
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 MTNR1A 3313/4885MTNR1B 2889/4885EGFR 4194/4885

“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.