SCHEMBL16836610

SCHEMBL16836610

COC(=O)c1ccccc1OCC(F)F

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.51
HSP90AA1 P07900 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC6A4 P31645 1/20 0.50
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.47
VDR P11473 1/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2713939 0.86 MAPT (0.44) SLC6A3HSP90AA1MAPTHTTNPSR1
SCHEMBL385218 0.85 ALDH1A1 (0.54) SLC6A3HSP90AA1MAPTHTTNPSR1
SCHEMBL16598552 0.85 ALDH1A1 (0.45) SLC6A3HSP90AA1MAPTHTTNPSR1
SCHEMBL17859341 0.83 LMNA (0.60) MAPTHTTALDH1A1TSHRKMT2A
SCHEMBL6776012 0.83 SLC6A3 (0.50) SLC6A3HSP90AA1MAPTHTTNPSR1
SCHEMBL21505718 0.83 SLC6A3 (0.50) SLC6A3HSP90AA1MAPTHTTNPSR1
SCHEMBL6042447 0.83 SLC6A3 (0.50) SLC6A3HSP90AA1MAPTHTTNPSR1
SCHEMBL16836611 0.81 ALDH1A1 (0.59) MAPTHTTALDH1A1TSHRKMT2A
SCHEMBL27413245 0.81 HSP90AA1 (0.57) SLC6A3HSP90AA1MAPTHTTNPSR1
SCHEMBL19564484 0.81 ABCB1 (0.46) HTTALDH1A1TSHRLMNASMN1; 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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017504-B2 Piperidine isoxazole and isothiazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
US-10017504-B2 Piperidine isoxazole and isothiazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
US-10017504-B2 Piperidine isoxazole and isothiazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
US-10011595-B2 Ethyldiamine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-10011595-B2 Ethyldiamine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-10011595-B2 Ethyldiamine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-9994570-B2 Bridged diazepane orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-06-12 US disclosed
US-9994570-B2 Bridged diazepane orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-06-12 US disclosed
US-9994570-B2 Bridged diazepane orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-06-12 US disclosed
US-9938276-B2 6,5-bicyclic octahydropyrrolopyridine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-04-10 US disclosed
WO-2016086357-A1 METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
WO-2016089721-A1 METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
WO-2016085783-A1 BRIDGED DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-02 WO disclosed
WO-2016085783-A1 BRIDGED DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-02 WO disclosed
WO-2016069517-A1 PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
WO-2016065585-A1 PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
CN-103857657-B Hete rocyclic derivatives and medicine NIPPON SHINYAKU CO.,LTD. (JP) 2016-04-20 CN disclosed
WO-2015095111-A1 DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015095111-A1 DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
CN-103857657-A Heterocyclic derivative and pharmaceutical drug NIPPON SHINYAKU CO LTD 2014-06-11 CN 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-10017504-B2 Piperidine isoxazole and isothiazole orexin receptor antagonists HCRTR1, HCRTR2, OXTR SLC6A3 513/4885HSP90AA1 1908/4885MAPT 1009/4885
US-10011595-B2 Ethyldiamine orexin receptor antagonists HCRTR2, HCRTR1, OXTR SLC6A3 221/4885HSP90AA1 3812/4885MAPT 781/4885

“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.