SCHEMBL5652547

SCHEMBL5652547

COc1ccc2nccc(C(C)(O)N3CCCC(CNCC=Cc4ccccc4)C3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
CCR8 P51685 7/20 0.36
MCHR1 Q99705 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
PREP P48147 1/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL3687873 0.79 SLC2A1 (0.49) KCNH2
SCHEMBL13145818 0.79 SLC2A1 (0.49) KCNH2
SCHEMBL5652545 0.79 CYP2D6 (0.40) KCNH2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL5441479 0.73 KCNH2 (0.40) KCNH2MCHR1NPSR1MEN1ALDH1A1
SCHEMBL5441471 0.73 KCNH2 (0.40) KCNH2MCHR1NPSR1MEN1ALDH1A1
SCHEMBL14372290 0.73 KCNH2 (0.45) KCNH2MCHR1NPSR1CNR1KDM4E
SCHEMBL3700635 0.72 SLC2A1 (0.45) KCNH2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3700630 0.72 SLC2A1 (0.45) KCNH2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6688480 0.69 KDM4E (0.40) KCNH2CCR8KDM4EMEN1ALDH1A1
SCHEMBL3688295 0.69 KCNH2 (0.47) KCNH2KDM4EMEN1ALDH1A1KMT2A

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 3798/4885MCHR1 4271/4885

“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.