SCHEMBL9963247

SCHEMBL9963247

CC(C)N1CCC2(CCCN(C)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
CYP2D6 P10635 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL9963245 0.91 CYP2D6 (0.39) LTA4HCYP2D6GRIN1GRIN2AKDM4E
SCHEMBL25900548 0.86 GRIN1 (0.36) LTA4HGRIN1GRIN2ABRD4BRD2
SCHEMBL16559764 0.83 CYP2D6 (0.39) CYP2D6KDM4EMEN1ALDH1A1LMNA
SCHEMBL10168628 0.83 GRIN1 (0.32) LTA4HGRIN1GRIN2A
SCHEMBL16190002 0.82 GRIN1 (0.42) LTA4HGRIN1GRIN2ABRD4BRD2
SCHEMBL10186804 0.81 CHRM2 (0.44) LTA4HGRIN1GRIN2ABRD4BRD2
SCHEMBL12832197 0.80 CYP2D6 (0.33) CYP2D6GRIN1GRIN2ACHRM2CHRM3
SCHEMBL13460109 0.78 GRIN1 (0.40) LTA4HGRIN1GRIN2ABRD4BRD2
SCHEMBL25738952 0.78 GRIN1 (0.40) LTA4HGRIN1GRIN2ABRD4BRD2
SCHEMBL16559762 0.78 CYP2D6 (0.34) CYP2D6KDM4EMEN1ALDH1A1LMNA

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-20230146135-A1 Benzodioxane Modulators of Leukotriene A4 Hydrolase (LTA4H) for Prevention and Treatment of Aging-Associated Diseases ALKAHEST, INC. 2023-05-11 US disclosed
US-20230146135-A1 Benzodioxane Modulators of Leukotriene A4 Hydrolase (LTA4H) for Prevention and Treatment of Aging-Associated Diseases ALKAHEST, INC. 2023-05-11 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9662339-B2 Benzodioxane inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-30 US disclosed
US-9662339-B2 Benzodioxane inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-30 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-9133146-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-15 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-8946203-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
US-8551982-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20130244996-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20130236468-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 US disclosed
US-20130196973-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A LTA4H 1992/4885CYP2D6 934/4885GRIN1 200/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 LTA4H 1892/4885CYP2D6 1147/4885GRIN1 1665/4885
US-20130196973-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTC4S LTA4H 1/4885CYP2D6 290/4885GRIN1 1245/4885
US-20130244996-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTC4S LTA4H 1/4885CYP2D6 290/4885GRIN1 1245/4885
US-20130236468-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY LTB4R, LTB4R2, LTC4S LTA4H 4/4885CYP2D6 539/4885GRIN1 1751/4885
US-20230146135-A1 Benzodioxane Modulators of Leukotriene A4 Hydrolase (LTA4H) for Prevention and Treatment of Aging-Associated Diseases LTA4H, LTB4R, LTC4S LTA4H 1/4885CYP2D6 688/4885GRIN1 1753/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A LTA4H 1992/4885CYP2D6 934/4885GRIN1 200/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A LTA4H 1992/4885CYP2D6 934/4885GRIN1 200/4885

“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.