SCHEMBL16656704

SCHEMBL16656704

CN[C@@H](Cc1cc2ccccc2[nH]1)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
ADAMTS4 O75173 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.45
PYGL P06737 1/20 0.44
PIN1 Q13526 3/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
NLRP3 Q96P20 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL14614675 0.90 ADAMTS4 (0.53) MTNR1AMTNR1BADAMTS4LOXL2PYGL
SCHEMBL22525256 0.89 ADAMTS4 (0.64) MTNR1AMTNR1BADAMTS4LOXL2PYGL
SCHEMBL25885232 0.86 MTNR1A (0.52) MTNR1AMTNR1BADAMTS4LOXL2PYGL
SCHEMBL12725424 0.82 MTNR1A (0.54) MTNR1AMTNR1BADAMTS4LOXL2PYGL
SCHEMBL12936626 0.79 MTNR1A (0.54) MTNR1AMTNR1BADAMTS4LOXL2KDM4E
SCHEMBL28952692 0.78 ADAMTS4 (0.61) MTNR1AMTNR1BADAMTS4PYGLPIN1
SCHEMBL13323481 0.77 MTNR1A (0.51) MTNR1AMTNR1BADAMTS4LOXL2PYGL
SCHEMBL14375004 0.77 ADAMTS4 (0.51) MTNR1AMTNR1BADAMTS4LOXL2PYGL
SCHEMBL22525255 0.77 ADAMTS4 (0.60) MTNR1AMTNR1BADAMTS4PYGLPIN1
SCHEMBL25867898 0.77 ADAMTS4 (0.51) MTNR1AMTNR1BADAMTS4LOXL2PYGL

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP disclosed
US-11072634-B2 Inhibitors of transglutaminases ZEDIRA GMBH (DE) 2021-07-27 US disclosed
US-20210147478-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2021-05-20 US disclosed
US-20190322700-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2019-10-24 US disclosed
WO-2019202052-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2019-10-24 WO disclosed
WO-2019201432-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2019-10-24 WO disclosed
WO-2018122419-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2018-07-05 WO disclosed
EP-3342779-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2018-07-04 EP disclosed
US-9012603-B2 Peptides that block the binding of IgG to FcRn BIOGEN IDEC HEMOPHILIA INC. (US) 2015-04-21 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 (3 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-20210147478-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII TFPI, F11, F13B MTNR1A 4821/4885MTNR1B 3992/4885ADAMTS4 102/4885
US-20190322700-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 MTNR1A 3090/4885MTNR1B 2856/4885ADAMTS4 462/4885
US-11072634-B2 Inhibitors of transglutaminases TGM2, TGM3, TGM1 MTNR1A 3090/4885MTNR1B 2856/4885ADAMTS4 462/4885

“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.