SCHEMBL330121

SCHEMBL330121

CN(C)CCOc1ccc2c(c1)CNC2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.58
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
LTA4H P09960 2/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MGLL Q99685 1/20 0.45
ABHD6 Q9BV23 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL29640820 1.00 HRH3 (0.58) HRH3CHRNB2CHRNA4LTA4HKEAP1
Hydrochloric Acid SCHEMBL29908192 0.98 HRH3 (0.57) HRH3CHRNB2CHRNA4LTA4HKEAP1
Hydrochloric Acid SCHEMBL22632638 0.98 HRH3 (0.57) HRH3CHRNB2CHRNA4LTA4HKEAP1
Hydrochloric Acid SCHEMBL3112773 0.98 HRH3 (0.57) HRH3CHRNB2CHRNA4LTA4HKEAP1
SCHEMBL3106459 0.92 HRH3 (0.69) HRH3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL27149138 0.91 HRH3 (0.68) HRH3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL31014073 0.87 HRH3 (0.71) HRH3CHRNB2CHRNA4KEAP1NFE2L2
Hydrochloric Acid SCHEMBL31014010 0.87 HRH3 (0.71) HRH3
SCHEMBL19249459 0.81 HRH3 (0.49) HRH3LTA4HALDH1A1MAPT
SCHEMBL5093953 0.81 HRH3 (0.84) HRH3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044553-A1 USE OF (ISOINDOLIN-2-YL)(4-HYDROXY-3-(ISOINDOLINE-2-CARBONYL)PHENYL)METHANONES IN THE TREATMENT OF TUMOR NECROSIS FACTOR RECEPTOR-ASSOCIATED PROTEIN 1 DYSFUNCTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2024-02-29 WO disclosed
EP-3623369-B1 NOVEL MORPHOLINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 EP disclosed
EP-3623369-B1 NOVEL MORPHOLINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 EP disclosed
EP-3623369-A1 NOVEL MORPHOLINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2020-03-18 EP disclosed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
EP-1680137-B1 Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication HOFFMANN LA ROCHE (CH) 2012-11-21 EP disclosed
EP-2407470-A2 Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication F. Hoffmann-La Roche Ltd. (CH) 2012-01-18 EP disclosed
EP-2155690-B1 INDAZOLAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-03 EP disclosed
EP-2155690-A1 INDAZOLAMIDE DERIVATIVES Merck Patent GmbH (DE) 2010-02-24 EP disclosed
US-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 US disclosed
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 US disclosed
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-23 US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 US disclosed
WO-2008155001-A1 INDAZOLAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2008-12-24 WO disclosed
EP-1749007-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION Intermune, Inc. (US) 2007-02-07 EP disclosed
EP-1680137-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION Intermune, Inc. (US) 2006-07-19 EP disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 US disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 WO 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 (4 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-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HRH3 4394/4885CHRNB2 4875/4885CHRNA4 4816/4885
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HRH3 4394/4885CHRNB2 4875/4885CHRNA4 4816/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 HRH3 4394/4885CHRNB2 4875/4885CHRNA4 4816/4885
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HRH3 4394/4885CHRNB2 4875/4885CHRNA4 4816/4885

“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.