SCHEMBL2893906

SCHEMBL2893906

CC(C)(C)OC(=O)N1CCCC1C=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
SCHEMBL14368609 1.00 HSD17B10 (0.46) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL4561004 1.00 HSD17B10 (0.46) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL2893902 1.00 HSD17B10 (0.46) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL2893904 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259923-A1 MGluR5 modulators IV ASTRAZENECA AB (SE) 2007-11-08 US claimed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 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-20070259923-A1 MGluR5 modulators IV GRM5, GRM4, GRIK5 HSD17B10 2691/4885LMNA 4640/4885NPSR1 252/4885
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR HSD17B10 778/4885LMNA 3489/4885NPSR1 38/4885

“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.