SCHEMBL5652187

SCHEMBL5652187

COc1ccc2ncnc(CCC3(O)CCC(NCc4ccc5nsnc5c4)CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.46
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
KCNH2 Q12809 11/20 0.43
IRAK4 Q9NWZ3 1/20 0.38
PDE5A O76074 1/20 0.38
SLC2A1 P11166 1/20 0.37

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
SCHEMBL3692130 0.90 MTNR1A (0.51) MTNR1AMTNR1BKCNH2IRAK4PDE5A
SCHEMBL5648051 0.87 KCNH2 (0.55) MCHR1MTNR1AMTNR1BKCNH2
SCHEMBL3691384 0.85 KCNH2 (0.58) MTNR1AMTNR1BKCNH2PDE5ASLC2A1
SCHEMBL3689154 0.85 PDE5A (0.56) MCHR1MTNR1AMTNR1BKCNH2PDE5A
SCHEMBL3695760 0.85 CLK4 (0.46) MTNR1AMTNR1BKCNH2IRAK4
SCHEMBL3697253 0.79 MTNR1A (0.45) MTNR1AMTNR1BKCNH2IRAK4SLC2A1
SCHEMBL3694275 0.78 MTNR1B (0.54) MTNR1AMTNR1BIRAK4
SCHEMBL3689911 0.77 MTNR1A (0.46) MCHR1MTNR1AMTNR1BKCNH2IRAK4
SCHEMBL5648828 0.77 MTNR1A (0.46) MCHR1MTNR1AMTNR1BKCNH2IRAK4
SCHEMBL3695637 0.76 MTNR1B (0.40) MCHR1MTNR1AMTNR1BKCNH2IRAK4

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-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

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 MCHR1 4271/4885MTNR1A 3313/4885MTNR1B 2889/4885

“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.