SCHEMBL1671209

SCHEMBL1671209

O=C(O)c1cncnc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 3/20 0.43
MGLL Q99685 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
SYK P43405 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 5/20 0.35
KDM8 Q8N371 2/20 0.35
XPO1 O14980 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NOTUM Q6P988 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
VNN1 O95497 1/20 0.33
MEN1 O00255 1/20 0.32

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
Trimethylammonium SCHEMBL8543218 0.92 ASPH (0.38) ASPHMGLLITGB1ITGA4HCAR2
Trimethylammonium SCHEMBL8541657 0.92 ASPH (0.38) ASPHMGLLITGB1ITGA4HCAR2
SCHEMBL23631773 0.83 SYK (0.48) MGLLITGB1ITGA4SYKKDM4E
SCHEMBL8574991 0.83 NFKB1 (0.40) MGLLITGB1ITGA4SYKPOLB
SCHEMBL1012918 0.81 HCAR2 (0.39) ASPHHCAR2MAPTKDM4EKDM8
3-Chloroaniline SCHEMBL27676204 0.80 ALDH1A1 (0.41) ITGB1ITGA4SYKXPO1ALDH1A1
SCHEMBL1672704 0.79 ATF1 (0.42) MGLLITGB1ITGA4SYKKDM4E
SCHEMBL13531238 0.79 MAPT (0.46) MGLLMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL6646376 0.79 MGLL (0.39) MGLLITGB1ITGA4SYKSMN1; SMN2
SCHEMBL28303166 0.79 GABRP (0.35) ASPHMGLLITGB1ITGA4SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4127157-B1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS ENCODIA INC (US) 2026-02-11 EP claimed
US-20240011009-A1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS Encodia, Inc. (US) 2024-01-11 US claimed
EP-4127157-A1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS Encodia, Inc. (US) 2023-02-08 EP claimed
WO-2022072560-A1 POLYPEPTIDE TERMINAL BINDERS AND USES THEREOF Encodia, Inc. (US) 2022-04-07 WO claimed
US-RE48841-E1 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-12-07 US claimed
WO-2021194908-A1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS Encodia, Inc. (US) 2021-09-30 WO 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
CN-102781942-B Octahydro pyrrolo-[3,4-c] pyrroles is replaced as two of orexin receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2015-09-23 CN 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
CN-102781942-A Disubstituted octahy-dropyrrolo [3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV 2012-11-14 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 ASPH 966/4885MGLL 4051/4885ITGB1 4877/4885
US-20120208812-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR ASPH 966/4885MGLL 4051/4885ITGB1 4877/4885
US-20140179697-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR ASPH 966/4885MGLL 4051/4885ITGB1 4877/4885
US-20200048263-A1 Disubstituted Octahydropyrrolo[3,4-C]Pyrroles As Orexin Receptor Modulators HCRTR2, HCRTR1, OXTR ASPH 966/4885MGLL 4051/4885ITGB1 4877/4885
US-11059828-B2 Disubstituted octahydropyrrolo[3,4-C]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR ASPH 966/4885MGLL 4051/4885ITGB1 4877/4885

“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.