SCHEMBL3584119

SCHEMBL3584119

COC(=O)C=Cc1cc(F)cc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
TYR P14679 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TTR P02766 1/20 0.54
APP P05067 1/20 0.54
PTPN1 P18031 1/20 0.51
BACE1 P56817 1/20 0.51
EPHX2 P34913 1/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
JAK2 O60674 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
FDPS P14324 1/20 0.46

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
SCHEMBL3584118 1.00 CA12 (0.55) CA12CA1CA2TYRCA7
SCHEMBL2850778 0.88 TTR (0.47) CA12CA1CA2TYRCA7
SCHEMBL13653355 0.88 BACE1 (0.54) CA12CA1CA2TYRCA7
SCHEMBL2334339 0.88 AKR1C3 (0.50) CA12CA1CA2TYRCA7
SCHEMBL2850780 0.88 TTR (0.47) CA12CA1CA2TYRCA7
SCHEMBL2186081 0.88 TTR (0.47) CA12CA1CA2TYRCA7
SCHEMBL2186082 0.88 TTR (0.47) CA12CA1CA2TYRCA7
SCHEMBL2334343 0.88 AKR1C3 (0.50) CA12CA1CA2TYRCA7
SCHEMBL18843967 0.87 TTR (0.46) CA12CA1CA2TYRCA7
SCHEMBL18844019 0.87 TTR (0.46) CA12CA1CA2TYRCA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180237441-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-08-23 US disclosed
EP-3350185-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2018-07-25 EP disclosed
WO-2017046737-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-16 US disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
US-20080146645-A1 Process for Preparing Indolinone Phenylaminopropanol Derivatives WYETH (US) 2008-06-19 US disclosed
EP-1931631-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2008024492-A2 INDOLINONE PHENYLAMINOPROPANOL DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF WYETH (US) 2008-02-28 WO disclosed
EP-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed
WO-2007041023-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2007-04-12 WO disclosed
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 US disclosed
EP-1732887-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth (US) 2006-12-20 EP disclosed
WO-2005097744-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-10-20 WO disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 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 (8 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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use COMT, PNMT, GLS CA12 4744/4885CA1 4760/4885CA2 4541/4885
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT CA12 4512/4885CA1 4421/4885CA2 3950/4885
US-20080146645-A1 Process for Preparing Indolinone Phenylaminopropanol Derivatives IDO1, CYP1A1, IDO2 CA12 4813/4885CA1 4151/4885CA2 4532/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT CA12 4512/4885CA1 4421/4885CA2 3950/4885
US-20180237441-A1 Chemical Compounds PSEN1, IRS1, CPT1A CA12 4849/4885CA1 4840/4885CA2 4857/4885
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CA12 3504/4885CA1 2110/4885CA2 1808/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT CA12 4512/4885CA1 4421/4885CA2 3950/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CA12 3504/4885CA1 2110/4885CA2 1808/4885

“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.