SCHEMBL1689696

SCHEMBL1689696

FC(F)(F)c1ccc(/C=C/CBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
AHR P35869 1/20 0.48
PTGS1 P23219 1/20 0.48
FBP1 P09467 1/20 0.47
NQO2 P16083 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HDAC3 O15379 1/20 0.46
ADAM17 P78536 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41

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
SCHEMBL1689700 1.00 CYP1A2 (0.50) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL11443780 0.85 CYP1A2 (0.55) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL18821936 0.82 ALDH1A1 (0.41) KCNH2
SCHEMBL22931544 0.79 AHR (0.68) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL13790263 0.79 AHR (0.68) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL13790273 0.79 AHR (0.68) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL256696 0.79 CYP1A2 (0.50) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL73876 0.79 AHR (0.53) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL80465 0.79 CYP1A2 (0.55) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL73875 0.79 AHR (0.53) CYP1A2AHRPTGS1FBP1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260028340-A1 SUBSTITUTED DERIVATIVES OF ISOINDOLES SUPERNUS PHARMACEUTICALS, INC. (US) 2026-01-29 US disclosed
US-12454535-B2 Substituted derivatives of isoindoles SUPERNUS PHARMACEUTICALS, INC. (US) 2025-10-28 US disclosed
US-20250197412-A1 SUBSTITUTED DERIVATIVES OF ISOINDOLES SUPERNUS PHARMACEUTICALS, INC. (US) 2025-06-19 US disclosed
US-9686990-B2 Spiroindolinepiperidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2017-06-27 US disclosed
US-20160007608-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LIMITED (GB) 2016-01-14 US disclosed
US-9174987-B2 Spiroindolinepiperidine derivatives SYNGENTA LIMITED (DE) 2015-11-03 US disclosed
EP-1880996-B1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2014-12-24 EP disclosed
US-20120010220-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2012-01-12 US disclosed
WO-2011137220-A1 SMALL MOLECULE NEUROPEPTIDE S ANTAGONISTS FOR THE TREATMENT OF ADDICTIVE DISORDERS, MOOD, ANXIETY AND SLEEP DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-11-03 WO disclosed
US-20100267778-A1 Diphenyl ether compound, process for producing the same, and use ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-21 US disclosed
EP-1515969-B1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2010-08-25 EP disclosed
EP-1880996-A1 Spiroindolinepiperidine derivatives Syngenta Limited (GB) 2008-01-23 EP disclosed
US-20070105959-A1 Cynnamyl alcohol derivative compounds and drugs containing the compounds as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 US disclosed
EP-1661879-A1 DIPHENYL ETHER COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP disclosed
US-20060106045-A1 Spiroindolinepiperidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2006-05-18 US disclosed
EP-1604971-A1 CINNAMYL ALCOHOL DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-14 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 (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-20260028340-A1 SUBSTITUTED DERIVATIVES OF ISOINDOLES ADRB3, ADRB2, SLC6A3 CYP1A2 174/4885AHR 452/4885PTGS1 2448/4885
US-12454535-B2 Substituted derivatives of isoindoles TPH2, CYP11B2, CYP3A5 CYP1A2 5/4885AHR 342/4885PTGS1 877/4885
US-20250197412-A1 SUBSTITUTED DERIVATIVES OF ISOINDOLES OPRK1, TPH2, NLN CYP1A2 66/4885AHR 474/4885PTGS1 1261/4885
US-20100267778-A1 Diphenyl ether compound, process for producing the same, and use PPARG, PPARD, PPARA CYP1A2 479/4885AHR 114/4885PTGS1 404/4885
US-20120010220-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES RECQL, OPRD1, SKP1 CYP1A2 479/4885AHR 2421/4885PTGS1 1137/4885
US-20060106045-A1 Spiroindolinepiperidine derivatives RECQL, OPRD1, NCAPD3 CYP1A2 410/4885AHR 2237/4885PTGS1 1127/4885
US-20070105959-A1 Cynnamyl alcohol derivative compounds and drugs containing the compounds as active ingredient LPL, GPR119, EBP CYP1A2 1806/4885AHR 2209/4885PTGS1 583/4885
US-20160007608-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES RECQL, OPRD1, SKP1 CYP1A2 479/4885AHR 2421/4885PTGS1 1137/4885

“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.