SCHEMBL544183

SCHEMBL544183

O=C(O)c1cnoc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.47
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
NR4A2 P43354 1/20 0.43
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 1/20 0.43
TDO2 P48775 2/20 0.42
IP6K1 Q92551 2/20 0.41
IP6K3 Q96PC2 2/20 0.41
IP6K2 Q9UHH9 2/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LDHA P00338 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HNF4A P41235 2/20 0.39
DHFR P00374 1/20 0.39
MCL1 Q07820 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
CDC25B P30305 1/20 0.39

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
SCHEMBL9391161 0.89 HCRTR1 (0.45) PTPN1HCRTR1HCRTR2NR4A2ALDH1A1
SCHEMBL3054751 0.85 HCRTR1 (0.43) PTPN1HCRTR1HCRTR2NR4A2ALDH1A1
SCHEMBL5321410 0.85 HCRTR1 (0.46) PTPN1HCRTR1HCRTR2NR4A2ALDH1A1
SCHEMBL25778740 0.85 IP6K1 (0.42) HCRTR1HCRTR2ALDH1A1IP6K1IP6K3
SCHEMBL28306024 0.85 ADORA2A (0.47) PTPN1HCRTR1HCRTR2ALDH1A1TDO2
SCHEMBL25778741 0.84 MKNK1 (0.50) ALDH1A1TDO2IP6K1IP6K3IP6K2
SCHEMBL3175389 0.84 NPC1 (0.44) ALDH1A1ALOX15TDO2TP53HSD17B10
SCHEMBL3173623 0.84 SMN1; SMN2 (0.46) HCRTR1HCRTR2ALDH1A1IP6K1IP6K3
SCHEMBL343121 0.84 PTPN1 (0.46) PTPN1ALDH1A1MCL1
SCHEMBL3180927 0.84 BCL2L1 (0.44) ALDH1A1TDO2HSD17B10NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2025-08-05 US disclosed
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-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-RE48841-E1 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-12-07 US disclosed
US-20210347781-A1 Disubstituted Octahydropyrrolo[3,4-c]Pyrroles As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2021-11-11 US disclosed
US-11059828-B2 Disubstituted octahydropyrrolo[3,4-C]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-07-13 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
US-20200048263-A1 Disubstituted Octahydropyrrolo[3,4-C]Pyrroles As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 EP disclosed
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 WO disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP disclosed
US-4243406-A REDUCING INJURIES TO CROP PLANTS WHEN USING AN ALPHA-HALOACETANILIDE AS A HERBICIDE MONSANTO COMPANY (US) 1981-01-06 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 (12 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 PTPN1 3692/4885HCRTR1 4107/4885HCRTR2 3853/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 PTPN1 3323/4885HCRTR1 4403/4885HCRTR2 4059/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 PTPN1 3692/4885HCRTR1 4107/4885HCRTR2 3853/4885
US-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR PTPN1 1741/4885HCRTR1 2/4885HCRTR2 1/4885
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR PTPN1 1741/4885HCRTR1 2/4885HCRTR2 1/4885
US-20210347781-A1 Disubstituted Octahydropyrrolo[3,4-c]Pyrroles As Orexin Receptor Modulators HCRTR2, HCRTR1, OXTR PTPN1 1741/4885HCRTR1 2/4885HCRTR2 1/4885
US-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR PTPN1 3136/4885HCRTR1 284/4885HCRTR2 269/4885
US-20200048263-A1 Disubstituted Octahydropyrrolo[3,4-C]Pyrroles As Orexin Receptor Modulators HCRTR2, HCRTR1, OXTR PTPN1 1741/4885HCRTR1 2/4885HCRTR2 1/4885
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP PTPN1 1540/4885HCRTR1 3425/4885HCRTR2 3743/4885
US-11059828-B2 Disubstituted octahydropyrrolo[3,4-C]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR PTPN1 1741/4885HCRTR1 2/4885HCRTR2 1/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 PTPN1 1702/4885HCRTR1 965/4885HCRTR2 1199/4885
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR PTPN1 1741/4885HCRTR1 2/4885HCRTR2 1/4885

“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.