SCHEMBL5651333

SCHEMBL5651333

COc1ccc2nccc(CNC3CCCN(NC(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.48
TACR1 P25103 3/20 0.45
SLC2A1 P11166 3/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
PREP P48147 1/20 0.43
ROCK2 O75116 1/20 0.42

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
SCHEMBL13145890 0.86 KCNH2 (0.49) KCNH2TACR1SLC2A1MTNR1AMTNR1B
SCHEMBL3690391 0.82 KCNH2 (0.49) KCNH2TACR1SLC2A1MTNR1AMTNR1B
SCHEMBL14539373 0.77 KCNH2 (0.49) KCNH2TACR1SLC2A1MTNR1AMTNR1B
SCHEMBL5777153 0.76 MTNR1A (0.46) KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL14514812 0.75 ALDH1A1 (0.47) KCNH2TACR1SLC2A1PREP
SCHEMBL14514811 0.74 KCNH2 (0.59) KCNH2SLC2A1ROCK2
SCHEMBL13145572 0.73 KCNH2 (0.65) KCNH2TACR1
SCHEMBL3689420 0.73 KCNH2 (0.52) KCNH2MTNR1AMTNR1BROCK2
SCHEMBL3692134 0.72 KCNH2 (0.61) KCNH2TACR1SLC2A1
SCHEMBL3410554 0.71 MTNR1A (0.46) KCNH2SLC2A1MTNR1AMTNR1BROCK2

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 KCNH2 2411/4885TACR1 3827/4885SLC2A1 4070/4885

“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.