SCHEMBL3390642

SCHEMBL3390642

O=C(O)c1ncccc1-c1ncccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.59
ALDH1A1 P00352 4/20 0.59
MAPT P10636 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
BLM P54132 2/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
AGER Q15109 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CYP1A2 P05177 1/20 0.52
MYC P01106 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.42
NAPRT Q6XQN6 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
P4HTM Q9NXG6 1/20 0.42
ASPH Q12797 1/20 0.41
KDM8 Q8N371 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
SCHEMBL9693400 0.89 KDM4E (0.52) KDM4EALDH1A1MAPTL3MBTL1BLM
SCHEMBL31278612 0.82 ALDH1A1 (0.44) KDM4EALDH1A1MAPTL3MBTL1BLM
SCHEMBL17028059 0.82 MKNK1 (0.50) KDM4EALDH1A1MAPTL3MBTL1BLM
SCHEMBL16025409 0.82 KDM4E (0.42) KDM4EALDH1A1MAPTL3MBTL1BLM
SCHEMBL287699 0.82 KDM4E (0.57) KDM4EALDH1A1MAPTL3MBTL1BLM
SCHEMBL17449213 0.82 ALDH1A1 (0.44) KDM4EALDH1A1MAPTL3MBTL1BLM
SCHEMBL31419367 0.79 ALDH1A1 (0.53) KDM4EALDH1A1MAPTL3MBTL1BLM
SCHEMBL9405123 0.79 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1BLM
SCHEMBL5467068 0.79 KDM4E (0.54) KDM4EALDH1A1MAPTL3MBTL1BLM
SCHEMBL30719725 0.79 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688155-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS Bial-Portela & CA, S.A. (PT) 2026-02-11 EP claimed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO claimed
US-20260085056-A1 OX1 RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2026-03-26 US disclosed
EP-4688155-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS Bial-Portela & CA, S.A. (PT) 2026-02-11 EP disclosed
US-12331029-B2 Orexin 1 receptor antagonists NXERA PHARMA UK LIMITED (GB) 2025-06-17 US disclosed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed
EP-4272824-A2 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-11-08 EP disclosed
EP-4272824-A2 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-11-08 EP disclosed
EP-3622956-B9 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-09-27 EP disclosed
EP-3622956-B9 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-09-27 EP disclosed
WO-2023118434-A1 PESTICIDALLY ACTIVE AMIDE COMPOUNDS GLOBACHEM NV (BE) 2023-06-29 WO disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO 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-20260085056-A1 OX1 RECEPTOR ANTAGONISTS CNR1, CNR2, OPRM1 KDM4E 1401/4885ALDH1A1 692/4885MAPT 1620/4885
US-12331029-B2 Orexin 1 receptor antagonists HCRTR1, HCRTR2, NPY1R KDM4E 2165/4885ALDH1A1 1992/4885MAPT 1021/4885
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B KDM4E 1224/4885ALDH1A1 882/4885MAPT 2636/4885
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R KDM4E 1115/4885ALDH1A1 548/4885MAPT 1765/4885

“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.