SCHEMBL1443559

SCHEMBL1443559

FC1(F)CCC(c2cc[c]cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.39
DGAT1 O75907 1/20 0.35
POLB P06746 1/20 0.34
ESR1 P03372 1/20 0.34
IDH1 O75874 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
QPCT Q16769 1/20 0.31

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
SCHEMBL6578876 0.82 POLB (0.46) ESR2POLBESR1
SCHEMBL22929 0.82
SCHEMBL3231007 0.79 ESR2 (0.44) ESR2POLBESR1
SCHEMBL17316818 0.78
SCHEMBL27684182 0.78 SLC18A3 (0.50) ESR2
SCHEMBL3233086 0.78 ESR2 (0.41) ESR2POLBESR1
SCHEMBL17729484 0.76 DGAT1 (0.32) DGAT1IDH1
SCHEMBL14356440 0.75 ESR2 (0.44) ESR2DGAT1ESR1
SCHEMBL1516060 0.75 ESR2 (0.63) ESR2ESR1
SCHEMBL26086875 0.75 TSHR (0.42) ESR2DGAT1ESR1HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040759-B2 Substituted azetidinyl compounds as GlyT1 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-08-07 US claimed
US-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-11-23 US claimed
EP-3215500-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS Dart NeuroScience (Cayman) Ltd. (KY) 2017-09-13 EP claimed
WO-2016073420-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE, LLC (US) 2016-05-12 WO claimed
US-10040759-B2 Substituted azetidinyl compounds as GlyT1 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-08-07 US disclosed
US-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-11-23 US disclosed
EP-3215500-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS Dart NeuroScience (Cayman) Ltd. (KY) 2017-09-13 EP disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
WO-2016073420-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE, LLC (US) 2016-05-12 WO disclosed
US-20160039795-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2016-02-11 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 EP disclosed
CN-104447792-A Substituted dihydro and tetrahydro oxazolopyrimidinones, preparation and use thereof SANOFI AVENTIS 2015-03-25 CN disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 US disclosed
EP-2475428-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2012-07-18 EP disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 US disclosed
WO-2011029920-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2011-03-17 WO disclosed
CN-101675060-A Substituted dihydro and tetrahydro oxazolopyrimidinones, their preparation and use SANOFI AVENTIS 2010-03-17 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 (5 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-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS ESR2 3603/4885DGAT1 1780/4885POLB 1125/4885
US-10040759-B2 Substituted azetidinyl compounds as GlyT1 inhibitors GLRA1, AGXT, B4GALT1 ESR2 1257/4885DGAT1 81/4885POLB 4264/4885
US-20160039795-A1 NOVEL INHIBITORS GLUL, QPCT, GLS ESR2 3603/4885DGAT1 1780/4885POLB 1125/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS ESR2 3603/4885DGAT1 1780/4885POLB 1125/4885
US-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS GLRA1, AGXT, B4GALT1 ESR2 1257/4885DGAT1 81/4885POLB 4264/4885

“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.