SCHEMBL5962444

SCHEMBL5962444

CC(C)(C)OC(=O)NCC1(C=O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
HCRTR2 O43614 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
P2RX7 Q99572 1/20 0.35
CTSK P43235 4/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
DRD2 P14416 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CTSS P25774 1/20 0.33

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
SCHEMBL28055196 0.98 HCRTR2 (0.40) EPHX1HCRTR2TDP1MAOAMAOB
SCHEMBL508325 0.92 HCRTR2 (0.42) EPHX1HCRTR2TDP1MAOAMAOB
SCHEMBL18182483 0.85 HCRTR2 (0.43) EPHX1HCRTR2TDP1MAOAMAOB
SCHEMBL28055283 0.84 HCRTR2 (0.39) EPHX1HCRTR2TDP1MAOAMAOB
SCHEMBL27112550 0.83 APLNR (0.38) EPHX1HCRTR2TDP1MAOAMAOB
SCHEMBL20567755 0.80 HCRTR2 (0.36) EPHX1HCRTR2TDP1MEN1KMT2A
SCHEMBL29541374 0.80 HCRTR2 (0.36) EPHX1HCRTR2TDP1MEN1KMT2A
SCHEMBL23219989 0.79 HCRTR2 (0.37) EPHX1HCRTR2TDP1MAOAMAOB
SCHEMBL21606412 0.79 HCRTR2 (0.37) EPHX1HCRTR2TDP1MAOAMAOB
SCHEMBL24463788 0.79 HCRTR2 (0.37) EPHX1HCRTR2TDP1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12312362-B2 Spiro derivatives of Alpha-D-galactopyranosides IDORSIA PHARMACEUTICALS LTD (CH) 2025-05-27 US disclosed
EP-4225752-B1 SPIRO DERIVATIVES OF ALPHA-D-GALACTOPYRANOSIDES IDORSIA PHARMACEUTICALS LTD (CH) 2024-12-11 EP disclosed
US-20230295182-A1 SPIRO DERIVATIVES OF ALPHA-D-GALACTOPYRANOSIDES IDORSIA PHARMACEUTICALS LTD (CH) 2023-09-21 US disclosed
EP-4225752-A1 SPIRO DERIVATIVES OF ALPHA-D-GALACTOPYRANOSIDES Idorsia Pharmaceuticals Ltd (CH) 2023-08-16 EP disclosed
WO-2022073969-A1 SPIRO DERIVATIVES OF ALPHA-D-GALACTOPYRANOSIDES IDORSIA PHARMACEUTICALS LTD (CH) 2022-04-14 WO disclosed
US-7026336-B1 4-pyridinylimidazol-2-ylhydrocarbyl amine, (thio)urea, carbamic acid or sulfonamide derivatives, e.g., (2-(4-(4-Chloro-3-methoxy-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl)-2-methyl-propyl)-carbamic acid tert-butyl ester; Raf kinase inhibitors for the treatment of neurotraumatic diseases SMITHKLINE BEECHAM P.L.C. (GB) 2006-04-11 US disclosed
EP-1232153-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-11-03 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 (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-12312362-B2 Spiro derivatives of Alpha-D-galactopyranosides LGALS1, LGALS3, LGALS2 EPHX1 4305/4885HCRTR2 4436/4885TDP1 1025/4885
US-20230295182-A1 SPIRO DERIVATIVES OF ALPHA-D-GALACTOPYRANOSIDES LGALS1, LGALS3, LGALS2 EPHX1 4305/4885HCRTR2 4436/4885TDP1 1025/4885

“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.