SCHEMBL5652075

SCHEMBL5652075

COc1ccc2nccc(C(CO)N3C4CCC3CC(NCc3cc5ccccc5o3)C4)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.45
KCNH2 Q12809 7/20 0.42
SLC2A1 P11166 4/20 0.41
CYP2D6 P10635 7/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 5/20 0.38
KDM4E B2RXH2 4/20 0.38
ADRA2A P08913 4/20 0.38
SLC6A4 P31645 4/20 0.38
OPRM1 P35372 4/20 0.38
HPGD P15428 3/20 0.38
CYP3A4 P08684 3/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CHRM2 P08172 1/20 0.38
SLC22A1 O15245 3/20 0.36
ABCB11 O95342 3/20 0.36
ABCB1 P08183 3/20 0.36

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
SCHEMBL3690599 0.86 KCNH2 (0.50) CCR8KCNH2SLC2A1CYP2D6ALDH1A1
SCHEMBL3698321 0.85 HCRTR1 (0.35) CCR8KCNH2ALDH1A1KDM4EHPGD
SCHEMBL4275508 0.80 KCNH2 (0.65) CCR8KCNH2SLC2A1
SCHEMBL13145896 0.78 KCNH2 (0.48) CCR8KCNH2SLC2A1CYP2D6ALDH1A1
SCHEMBL7015177 0.78 CCR8 (0.42) CCR8KCNH2SLC2A1CYP2D6ALDH1A1
SCHEMBL5653940 0.77 KCNH2 (0.39) KCNH2SLC2A1CYP2D6ALDH1A1HSD17B10
SCHEMBL5649376 0.73 KCNH2 (0.38) CCR8KCNH2SLC2A1CYP2D6ALDH1A1
SCHEMBL3690604 0.71 SLC2A1 (0.36) KCNH2SLC2A1ALDH1A1KDM4EADRA2A
SCHEMBL4275487 0.71 SLC2A1 (0.48) CCR8KCNH2SLC2A1HSD17B10KDM4E
SCHEMBL7146164 0.69 SLC2A1 (0.48) KCNH2SLC2A1CYP2D6ALDH1A1HSD17B10

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 CCR8 3798/4885KCNH2 2411/4885SLC2A1 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.