SCHEMBL5083468

SCHEMBL5083468

O=C(NC1CCOCC1)c1cccnc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
HTT P42858 1/20 0.62
MAPT P10636 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.58
GRM5 P41594 1/20 0.55
RAB9A P51151 1/20 0.54
DYRK1A Q13627 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
KDM1A O60341 1/20 0.52
TP53 P04637 1/20 0.52
ITGA5 P08648 1/20 0.52
GABRA5 P31644 1/20 0.52
TSHR P16473 1/20 0.51

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
SCHEMBL23387883 0.92 ALDH1A1 (0.59) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL29634591 0.92 ALDH1A1 (0.59) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL1116630 0.89 ALDH1A1 (0.78) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL3427705 0.86 ALDH1A1 (0.74) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL3427969 0.86 ALDH1A1 (0.70) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL29722613 0.85 ALDH1A1 (0.60) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL10143960 0.85 ALDH1A1 (0.77) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL1116654 0.85 ALDH1A1 (0.60) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL4414127 0.85 ALDH1A1 (0.77) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL5777586 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285525-A Novel isoxazolyl ether derivatives as GABAA alpha 5PAM 豪夫迈·罗氏有限公司 2023-12-26 CN claimed
CN-109923113-B Isoxazolyl ether derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2023-10-13 CN claimed
CN-115551841-A Azetidin-3-ylcarbinol derivatives as modulators of the CCR6 receptor 爱杜西亚药品有限公司 2022-12-30 CN claimed
EP-4021893-A1 PERK INHIBITING COMPOUNDS Hibercell, Inc. (US) 2022-07-06 EP claimed
WO-2021041973-A1 PERK INHIBITING COMPOUNDS HIBERCELL, INC. (US) 2021-03-04 WO claimed
EP-2649064-A1 NOVEL TRIAZOLE COMPOUNDS III F. Hoffmann-La Roche AG (CH) 2013-10-16 EP claimed
WO-2012076590-A1 NOVEL TRIAZOLE COMPOUNDS III F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO claimed
CN-117843567-A Diazaaryl ring substituted benzene derivatives, compositions and uses thereof 康迈迪森(北京)医药科技有限公司 2024-04-09 CN disclosed
CN-116478145-B ALK2 kinase inhibitors 杭州邦顺制药有限公司 2024-02-02 CN disclosed
CN-117285525-A Novel isoxazolyl ether derivatives as GABAA alpha 5PAM 豪夫迈·罗氏有限公司 2023-12-26 CN disclosed
WO-2023198114-A1 ALK2 KINASE INHIBITOR 杭州邦顺制药有限公司 2023-10-19 WO disclosed
CN-109923113-B Isoxazolyl ether derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2023-10-13 CN disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed
US-20230174514-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-06-08 US disclosed
CN-107344936-B Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2022-06-03 CN disclosed
EP-2575455-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY The Regents of the University of California (US) 2013-04-10 EP disclosed
WO-2011153377-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 WO disclosed
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 US disclosed
EP-1565442-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-08-24 EP disclosed
WO-2004029026-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-04-08 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 (2 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-20230174514-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS CCR6, CCR1, CCR3 ALDH1A1 1097/4885L3MBTL1 3610/4885HTT 3976/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A ALDH1A1 3032/4885L3MBTL1 4731/4885HTT 4329/4885

“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.