SCHEMBL2178391

SCHEMBL2178391

CCCCCOc1ccn(Cc2cccc(NCCO)c2Cl)c(=O)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.39
APP P05067 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
MAPK14 Q16539 1/20 0.38
CNR2 P34972 1/20 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
SCHEMBL2178973 0.89 MTNR1A (0.39) MTNR1AAPPBACE1BACE2CNR2
SCHEMBL2177373 0.89 THRB (0.39) MTNR1AMAPK14
SCHEMBL2177969 0.88 PLA2G4B (0.41) MTNR1AMAPK14
SCHEMBL2177626 0.86 NPC1 (0.43) MTNR1AMAPK14
SCHEMBL2177091 0.85 MTNR1A (0.41) MTNR1A
SCHEMBL2176423 0.85 BACE1 (0.41) APPBACE1BACE2MAPK14CNR2
SCHEMBL2178547 0.82 MAPK14 (0.44) MAPK14
SCHEMBL2177594 0.82 SMPD1 (0.37) APPBACE1BACE2CNR2
SCHEMBL2177685 0.82 MTNR1A (0.39) MTNR1AMAPK14
SCHEMBL2174497 0.81 TSHR (0.43) MAPK14

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
CN-101282930-B Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC 2012-10-24 CN claimed
CN-101282930-A Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC (KR) 2008-10-08 CN claimed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP claimed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO claimed
CN-101282930-B Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC 2012-10-24 CN disclosed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
CN-101282930-A Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC (KR) 2008-10-08 CN disclosed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT MTNR1A 4823/4885APP 1687/4885BACE1 859/4885

“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.