SCHEMBL3698208

SCHEMBL3698208

CCOc1ccc2nccc(CCC3(O)CCC(=O)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.44
MTNR1B P49286 3/20 0.44
ROCK2 O75116 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC22A12 Q96S37 4/20 0.36
PARP1 P09874 1/20 0.36
TYMS P04818 1/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 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
SCHEMBL1147843 0.83 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL1147842 0.83 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL1147845 0.83 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL4792023 0.83 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL1148173 0.82 MAPT (0.43) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL1148169 0.82 MAPT (0.43) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL1148171 0.82 MAPT (0.43) MTNR1AMTNR1BALDH1A1KDM4ECYP1A2
SCHEMBL3698211 0.76 KCNA3 (0.36) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL3256511 0.75 MTNR1A (0.51) MTNR1AMTNR1BROCK2ALDH1A1KDM4E
SCHEMBL3256516 0.75 MTNR1A (0.51) MTNR1AMTNR1BROCK2ALDH1A1KDM4E

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 8 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
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
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 MTNR1A 3313/4885MTNR1B 2889/4885ROCK2 3522/4885

“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.