SCHEMBL4155746

SCHEMBL4155746

c1ccc(OCC2CCCN2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.79
CHRNB4 P30926 1/20 0.68
CHRNA3 P32297 1/20 0.68

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
SCHEMBL7901523 1.00 LTA4H (0.79) LTA4HCHRNB4CHRNA3
SCHEMBL5332805 1.00 LTA4H (0.79) LTA4HCHRNB4CHRNA3
Hydrochloric Acid SCHEMBL9237449 0.98 LTA4H (0.77) LTA4HCHRNB4CHRNA3
Hydrochloric Acid SCHEMBL4742124 0.98 LTA4H (0.77) LTA4HCHRNB4CHRNA3
SCHEMBL3166997 0.95 LTA4H (0.88) LTA4H
SCHEMBL4317030 0.94 LTA4H (0.91) LTA4H
SCHEMBL14544796 0.94 LTA4H (0.91) LTA4H
SCHEMBL4317023 0.94 LTA4H (0.91) LTA4H
SCHEMBL10326529 0.90 LTA4H (0.84) LTA4H
SCHEMBL10326840 0.90 LTA4H (0.84) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5472958-A 2-((nitro)phenoxymethyl) heterocyclic compounds that enhance cognitive function ABBOTT LABORATORIES (US) 1995-12-05 US claimed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
CN-107667097-B Separation of enantiomers of 3-ethylbicyclo [3.2.0] hept-3-en-6-one 诺瓦色生物公司 2021-02-12 CN disclosed
CN-111393375-A Nitrogen-substituted hexabasic aromatic heterocyclic ketone compound and pharmaceutical composition, preparation method and application thereof 中国药科大学 2020-07-10 CN disclosed
EP-3303308-B1 SEPARATION OF ENANTIOMERS OF 3-ETHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE NOVASSAY SA (CH) 2019-10-09 EP disclosed
US-10150723-B2 Separation of enantiomers of 3-ethylbicyclo[3.2.0]hept-3-en-6-one NOVASSAY S.A. (CH) 2018-12-11 US disclosed
EP-2792664-B1 OPTICAL RESOLUTION METHOD FOR BICYCLIC COMPOUND USING ASYMMETRIC CATALYST DAIICHI SANKYO CO LTD (JP) 2018-07-04 EP disclosed
US-20180134643-A1 SEPARATION OF ENANTIOMERS OF 3-ETHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE NOVASSAY S.A. (CH) 2018-05-17 US disclosed
EP-3303308-A1 SEPARATION OF ENANTIOMERS OF 3-ETHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE Novassay SA (CH) 2018-04-11 EP disclosed
CN-107667097-A Separation of enantiomers of 3-ethylbicyclo [3.2.0] hept-3-en-6-one 诺瓦色生物公司 2018-02-06 CN disclosed
EP-1001933-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-11-06 EP disclosed
EP-1242081-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2002-09-25 EP disclosed
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 WO disclosed
EP-1087663-A2 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-04 EP disclosed
JP-2001089451-A PRODUCTION OF AMINOPYRIDINES TEIKOKU CHEM IND CORP LTD 2001-04-03 JP disclosed
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999065451-A2 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-23 WO disclosed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 WO disclosed
US-5472958-A 2-((nitro)phenoxymethyl) heterocyclic compounds that enhance cognitive function ABBOTT LABORATORIES (US) 1995-12-05 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 (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-20180134643-A1 SEPARATION OF ENANTIOMERS OF 3-ETHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE ALDH7A1, OPRK1, SCN3A LTA4H 1321/4885CHRNB4 520/4885CHRNA3 95/4885
US-10150723-B2 Separation of enantiomers of 3-ethylbicyclo[3.2.0]hept-3-en-6-one ALDH7A1, OPRK1, SCN3A LTA4H 1321/4885CHRNB4 520/4885CHRNA3 95/4885

“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.