SCHEMBL895697

SCHEMBL895697

FC(F)(F)c1cc(C(F)(F)F)n[c]n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
CHKA P35790 1/20 0.36
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CES2 O00748 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
LOXL2 Q9Y4K0 2/20 0.31
ALDH1A1 P00352 1/20 0.30
LOX P28300 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL15094424 0.83 CA2 (0.48) CA2CHKAHSP90AA1HSP90AB1LOXL2
SCHEMBL3382175 0.83 NT5E (0.31) CA2CHKAALDH1A1
SCHEMBL3381842 0.78 GAA (0.40) ALDH1A1
SCHEMBL3383819 0.75
SCHEMBL1149731 0.74 TRPV4 (0.32) CA2CHKATRPV4
SCHEMBL17626242 0.73 KDM4E (0.57) ALDH1A1
SCHEMBL2186389 0.72 NOS3 (0.33) CA2CHKACES2NOS3NOS2
SCHEMBL2301230 0.71 HSD17B10 (0.35)
SCHEMBL194461 0.69 NISCH (0.33) TRPV4LOXL2ALDH1A1LOXNOS3
SCHEMBL16242312 0.67 KDM4E (0.33) CA2CHKAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48841-E1 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-12-07 US claimed
US-11059828-B2 Disubstituted octahydropyrrolo[3,4-C]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-07-13 US claimed
US-20200048263-A1 Disubstituted Octahydropyrrolo[3,4-C]Pyrroles As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 US claimed
EP-3093291-B1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-05-08 EP claimed
US-20170129901-A1 Disubstituted Octahydropyrrolo[3,4-C]Pyrroles As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2017-05-11 US claimed
EP-3093291-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-11-16 EP claimed
EP-2491038-B1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-04-06 EP claimed
US-9079911-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-14 US claimed
US-20140179697-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-06-26 US claimed
US-8653263-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA (BE) 2014-02-18 US claimed
EP-2491038-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2012-08-29 EP claimed
US-20120208812-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-16 US claimed
WO-2011050198-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO claimed
US-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-04 US disclosed
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-06-06 US disclosed
US-20210387968-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2021-12-16 US disclosed
WO-2006066799-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
EP-0576251-B1 Substituted 1,2,4-triazine-3,5-dione derivatives and drug compositions containing them, particularly for coccidiosis treatment SUNTORY LTD (JP) 1999-11-24 EP disclosed
US-5424310-A Substituted 1,2,4-triazine-3,5-dione derivative and anticoccidial drug composition containing the same as active component SUNTORY LIMITED (JP) 1995-06-13 US disclosed
EP-0576251-A1 Substituted 1,2,4-triazine-3,5-dione derivatives and drug compositions containing them, particularly for coccidiosis treatment SUNTORY LIMITED (JP) 1993-12-29 EP 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 (8 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-20170129901-A1 Disubstituted Octahydropyrrolo[3,4-C]Pyrroles As Orexin Receptor Modulators HCRTR2, HCRTR1, OXTR CA2 1985/4885CHKA 4193/4885HSP90AA1 3723/4885
US-20120208812-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR CA2 1985/4885CHKA 4193/4885HSP90AA1 3723/4885
US-20210387968-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLH, POLB CA2 3964/4885CHKA 80/4885HSP90AA1 761/4885
US-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR CA2 1985/4885CHKA 4193/4885HSP90AA1 3723/4885
US-20140179697-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR CA2 1985/4885CHKA 4193/4885HSP90AA1 3723/4885
US-20200048263-A1 Disubstituted Octahydropyrrolo[3,4-C]Pyrroles As Orexin Receptor Modulators HCRTR2, HCRTR1, OXTR CA2 1985/4885CHKA 4193/4885HSP90AA1 3723/4885
US-11059828-B2 Disubstituted octahydropyrrolo[3,4-C]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR CA2 1985/4885CHKA 4193/4885HSP90AA1 3723/4885
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR CA2 1985/4885CHKA 4193/4885HSP90AA1 3723/4885

“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.