SCHEMBL3686476

SCHEMBL3686476

COc1ccc2nccc(CCC3(O)CCC(N)CC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
KCNH2 Q12809 7/20 0.44
ROCK2 O75116 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.42
SLC22A12 Q96S37 1/20 0.41

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
SCHEMBL1147949 0.88 MTNR1A (0.53) MTNR1AMTNR1BKCNH2KDM4ELMNA
SCHEMBL1147952 0.88 MTNR1A (0.53) MTNR1AMTNR1BKCNH2KDM4ELMNA
SCHEMBL1147953 0.88 MTNR1A (0.53) MTNR1AMTNR1BKCNH2KDM4ELMNA
SCHEMBL3250707 0.86 MTNR1A (0.53) MTNR1AMTNR1BKCNH2ROCK2KDM4E
SCHEMBL3252537 0.86 MTNR1A (0.53) MTNR1AMTNR1BKCNH2ROCK2KDM4E
SCHEMBL3252542 0.86 MTNR1A (0.53) MTNR1AMTNR1BKCNH2ROCK2KDM4E
SCHEMBL3256511 0.83 MTNR1A (0.51) MTNR1AMTNR1BROCK2KDM4ELMNA
SCHEMBL3256516 0.83 MTNR1A (0.51) MTNR1AMTNR1BROCK2KDM4ELMNA
SCHEMBL3256520 0.83 MTNR1A (0.51) MTNR1AMTNR1BROCK2KDM4ELMNA
SCHEMBL3694275 0.83 MTNR1B (0.54) MTNR1AMTNR1BKDM4E

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 2889/4885KCNH2 2411/4885

“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.