SCHEMBL5652817

SCHEMBL5652817

COc1ccc2nccc(CC(O)N3CCCN(CCc4ccccc4)CC3C(=O)O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.54
CCR8 P51685 2/20 0.43
GPR39 O43194 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SLC2A1 P11166 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
SCHEMBL5650218 0.91 KCNH2 (0.47) KCNH2CCR8GPR39MTNR1AMTNR1B
SCHEMBL3692223 0.75 KCNH2 (0.40) KCNH2CCR8MTNR1AMTNR1BSLC2A1
SCHEMBL13146379 0.72 SLC2A1 (0.58) KCNH2SLC2A1
SCHEMBL5646708 0.72 MTNR1A (0.46) KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL7462927 0.71 CCR8 (0.54) KCNH2CCR8
SCHEMBL13145572 0.71 KCNH2 (0.65) KCNH2CCR8
SCHEMBL7724073 0.71 KCNH2 (0.53) KCNH2CCR8
SCHEMBL3248917 0.70 KCNH2 (0.59) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL6975577 0.70 KCNH2 (0.58) KCNH2
SCHEMBL3697078 0.70 LMNA (0.40) KCNH2MTNR1AMTNR1BSLC2A1

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 2411/4885CCR8 3798/4885GPR39 3098/4885

“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.