SCHEMBL438176

SCHEMBL438176

O=C(O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.58
ALB P02768 1/20 0.58
MAOA P21397 1/20 0.58
CNR1 P21554 1/20 0.58
DRD1 P21728 1/20 0.58
OPRD1 P41143 1/20 0.58
PDE4D Q08499 1/20 0.58
PDE3A Q14432 1/20 0.58
IP6K1 Q92551 1/20 0.58
IP6K3 Q96PC2 1/20 0.58
IP6K2 Q9UHH9 1/20 0.58
MGLL Q99685 2/20 0.58
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPSE Q9Y251 1/20 0.48
UTRN P46939 1/20 0.47
P2RY14 Q15391 2/20 0.47
HDAC6 Q9UBN7 3/20 0.46

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
SCHEMBL31261526 1.00 TTR (0.58) TTRALBMAOACNR1DRD1
SCHEMBL439112 0.90 HDAC6 (0.58) IP6K1IP6K3IP6K2MGLLALDH1A1
SCHEMBL20897604 0.86 RAB9A (0.57) MGLLALDH1A1KMT2AKDM4EUTRN
SCHEMBL6840267 0.86 TTR (0.62) TTRALBMAOACNR1DRD1
SCHEMBL31261527 0.86 TTR (0.62) TTRALBMAOACNR1DRD1
SCHEMBL1675377 0.86 TTR (0.68) TTRALBMAOACNR1DRD1
SCHEMBL22442342 0.84 TTR (0.62) TTRALBMAOACNR1DRD1
SCHEMBL29784233 0.83 TTR (0.72) TTRALBMAOACNR1DRD1
SCHEMBL121966 0.83 TTR (0.72) TTRALBMAOACNR1DRD1
SCHEMBL1675535 0.82 TTR (0.55) TTRALBMAOACNR1DRD1

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587821-B1 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING SCRIPPS RESEARCH INST (US) 2008-08-20 EP claimed
US-7214695-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US claimed
US-7214696-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US claimed
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INSTITUTE, THE 2006-03-16 US claimed
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
EP-3694840-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS Hoffmann-La Roche AG (CH) 2020-08-19 EP disclosed
WO-2019072785-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-04-18 WO disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
EP-2325651-B1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2014-10-08 EP disclosed
US-7560488-B2 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE (US) 2009-07-14 US disclosed
EP-1988397-A1 Compositions and method for stabilizing transthyretin and inhibiting transthyretin misfolding The Scripps Research Institute (US) 2008-11-05 EP disclosed
EP-1587821-B1 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING SCRIPPS RESEARCH INST (US) 2008-08-20 EP disclosed
US-7214695-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US disclosed
US-7214696-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US disclosed
US-20070078186-A1 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE 2007-04-05 US disclosed
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INSTITUTE, THE 2006-03-16 US disclosed
US-20040152140-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE 2004-08-05 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 (4 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-20070078186-A1 Methods for treating transthyretin amyloid diseases TTR, TTPA, PRNP TTR 1/4885ALB 26/4885MAOA 1980/4885
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG TTR 4320/4885ALB 3280/4885MAOA 583/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG TTR 4320/4885ALB 3280/4885MAOA 583/4885
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding TTR, TTPA, PRNP TTR 1/4885ALB 10/4885MAOA 2954/4885

“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.