SCHEMBL17063992

SCHEMBL17063992

CC(C)Oc1ncccc1C=NO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ FGF23 Q9GZV9 2/20 0.44
▸ SLC13A5 Q86YT5 1/20 0.38
▸ HPGD P15428 4/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALOX5AP P20292 2/20 0.35
▸ FEN1 P39748 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 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
SCHEMBL17063991 1.00 ALDH1A1 (0.44) ALDH1A1FGF23SLC13A5HPGDTSHR
SCHEMBL2161123 0.81 ALDH1A1 (0.48) ALDH1A1FGF23HPGDTSHRMAPK1
SCHEMBL2161121 0.81 ALDH1A1 (0.48) ALDH1A1FGF23HPGDTSHRMAPK1
SCHEMBL5463502 0.81 ALDH1A1 (0.48) ALDH1A1FGF23HPGDTSHRMAPK1
SCHEMBL17063886 0.79 ALDH1A1 (0.46) ALDH1A1FGF23HPGDTSHRMAPK1
SCHEMBL17063885 0.79 ALDH1A1 (0.46) ALDH1A1FGF23HPGDTSHRMAPK1
SCHEMBL29953082 0.78 TRIM24 (0.47) ALDH1A1SLC13A5HPGDTSHRLMNA
SCHEMBL2600013 0.78 TRIM24 (0.47) ALDH1A1SLC13A5HPGDTSHRLMNA
SCHEMBL19769027 0.76 ALDH1A1 (0.49) ALDH1A1FGF23HPGDTSHRMAPK1
SCHEMBL19880469 0.76 ALDH1A1 (0.49) ALDH1A1FGF23HPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR ALDH1A1 1086/4885FGF23 1266/4885SLC13A5 3607/4885

“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.

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