SCHEMBL3692134

SCHEMBL3692134

COc1ccc2nccc(CNC3CCCN(CCCc4ccccc4)CC3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.61
CCR8 P51685 1/20 0.54
TACR1 P25103 4/20 0.48
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC2A1 P11166 1/20 0.44

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
SCHEMBL13145572 0.95 KCNH2 (0.65) KCNH2CCR8TACR1ALDH1A1GAA
SCHEMBL14514811 0.87 KCNH2 (0.59) KCNH2CCR8SLC2A1
SCHEMBL3692137 0.82 MEN1 (0.49) MEN1KMT2A
SCHEMBL3690915 0.78 KCNH2 (0.74) KCNH2SLC2A1
SCHEMBL3690789 0.78 KCNH2 (0.48) KCNH2CCR8TACR1
SCHEMBL14514812 0.76 ALDH1A1 (0.47) KCNH2TACR1ALDH1A1GAAMAPT
SCHEMBL7466144 0.75 CCR8 (0.53) KCNH2CCR8ALDH1A1GAAKDM4E
SCHEMBL7455480 0.75 CCR8 (0.53) KCNH2CCR8ALDH1A1KDM4EMAPT
SCHEMBL7560175 0.75 CCR8 (0.53) KCNH2CCR8ALDH1A1GAAKDM4E
SCHEMBL3690391 0.75 KCNH2 (0.49) KCNH2TACR1SLC2A1

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 11 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
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed
CN-101817815-A Compounds with antibacterial activity MORPHOCHEM AG KOMB CHEMIE 2010-09-01 CN disclosed
CN-100569769-C Compounds with fungicidal activity MORPHOCHEM AG KOMB CHEMIE (DE) 2009-12-16 CN 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
CN-1703412-A Novel compounds with fungicidal activity MORPHOCHEM AG KOMB CHEMIE (DE) 2005-11-30 CN disclosed
EP-1551829-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2005-07-13 EP disclosed
WO-2004035569-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2004-04-29 WO 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 3798/4885TACR1 3827/4885

“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.