SCHEMBL3836645

SCHEMBL3836645

C[Si](C)(C)c1c(F)cc(Cl)cc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
IDO1 P14902 2/20 0.32
TDO2 P48775 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL28382564 0.78 RAPGEF4 (0.33)
SCHEMBL6193465 0.76 SELL (0.33) TSHR
SCHEMBL665856 0.74 DGAT1 (0.30)
SCHEMBL17391148 0.74 ALDH1A1 (0.35) TSHR
SCHEMBL8973947 0.70 TSHR (0.50) TSHRIDO1NOS3NOS1NOS2
SCHEMBL10144167 0.69 TSHR (0.41) TSHRIDO1
SCHEMBL29953333 0.69 ENPP2 (0.32)
SCHEMBL8725010 0.69 HTR2A (0.36)
SCHEMBL16494835 0.69 TTR (0.37)
SCHEMBL24602620 0.67 TSHR (0.47) TSHRIDO1NOS3NOS1NOS2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316028-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-06-11 US disclosed
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2018-12-27 US disclosed
US-9850237-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-12-26 US disclosed
US-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2017-05-04 US disclosed
EP-2870144-B1 OREXIN RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LTD (GB) 2017-04-19 EP disclosed
US-9555044-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-01-31 US disclosed
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2016-07-28 US disclosed
EP-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP disclosed
US-9249160-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2016-02-02 US disclosed
EP-2870144-A1 OREXIN RECEPTOR ANTAGONISTS Heptares Therapeutics Limited (GB) 2015-05-13 EP disclosed
EP-2060566-A1 Poly-substituted aryls Dow AgroSciences LLC (US) 2009-05-20 EP disclosed
US-7498468-B2 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2009-03-03 US disclosed
EP-1973881-A2 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2008-10-01 EP disclosed
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-02-28 US disclosed
US-20080045734-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-02-21 US disclosed
US-7314849-B2 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2007-08-02 US disclosed
WO-2007082098-A2 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2007-07-19 WO disclosed
US-5730901-A Silacyclohexane compounds, preparation thereof liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-03-24 US disclosed
EP-0742222-A2 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-11-13 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 (7 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-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R TSHR 175/4885IDO1 437/4885TDO2 583/4885
US-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R TSHR 175/4885IDO1 437/4885TDO2 583/4885
US-20080045734-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC TSHR 2822/4885IDO1 199/4885TDO2 266/4885
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R TSHR 175/4885IDO1 437/4885TDO2 583/4885
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC TSHR 2822/4885IDO1 199/4885TDO2 266/4885
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC TSHR 2822/4885IDO1 199/4885TDO2 266/4885
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R TSHR 175/4885IDO1 437/4885TDO2 583/4885

“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.