SCHEMBL2893904

SCHEMBL2893904

CC(C)(C)OC(=O)N1CCC[C@@H]1C=NO

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.39
UCHL1 P09936 2/20 0.38
EPHX1 P07099 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL17063892 1.00 HSD17B10 (0.46) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL2893906 1.00 HSD17B10 (0.46) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL14368609 1.00 HSD17B10 (0.46) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL4561004 1.00 HSD17B10 (0.46) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL2893902 1.00 HSD17B10 (0.46) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL8228626 1.00 HSD17B10 (0.46) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL8220765 0.95 HSD17B10 (0.42) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL8228189 0.95 HSD17B10 (0.42) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL2897865 0.95 HSD17B10 (0.42) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL2894345 0.95 HSD17B10 (0.42) HSD17B10LMNANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032568-A2 POLYCYCLIC HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF THE METABOTROPIC GLUTAMATE 5 RECEPTOR AstraZeneca AB (SE) 2009-03-11 EP claimed
WO-2007130823-A2 POLYCYCLIC HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF THE METABOTROPIC GLUTAMATE 5 RECEPTOR ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259923-A1 MGluR5 modulators IV ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259923-A1 MGluR5 modulators IV ASTRAZENECA AB (SE) 2007-11-08 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 (3 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-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 HSD17B10 2742/4885LMNA 4581/4885NPSR1 238/4885
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 HSD17B10 3496/4885LMNA 4861/4885NPSR1 453/4885
US-20070259923-A1 MGluR5 modulators IV GRM5, GRM4, GRIK5 HSD17B10 2691/4885LMNA 4640/4885NPSR1 252/4885

“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.