SCHEMBL278467

SCHEMBL278467

CC(C)NC1CCN(Cc2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.64
BCHE P06276 10/20 0.64
ACHE P22303 10/20 0.64
DPP7 Q9UHL4 1/20 0.56
MALT1 Q9UDY8 1/20 0.53
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52

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
SCHEMBL19077916 1.00 BACE1 (0.64) BACE1BCHEACHEDPP7MALT1
SCHEMBL19077915 1.00 BACE1 (0.64) BACE1BCHEACHEDPP7MALT1
SCHEMBL14252995 0.93 ALDH1A1 (0.57) BACE1BCHEACHE
SCHEMBL278631 0.91 ACHE (0.62) BACE1BCHEACHEDPP7DRD4
Hydrochloric Acid SCHEMBL9785794 0.89 ACHE (0.60) BACE1BCHEACHEDPP7DRD4
Hydrochloric Acid SCHEMBL9785708 0.88 ACHE (0.59) BACE1BCHEACHEDPP7DRD4
SCHEMBL8177287 0.87 ACHE (0.50) BACE1BCHEACHEDPP7
SCHEMBL19501408 0.86 ROCK2 (0.53) BACE1BCHEACHEDRD4
SCHEMBL19501404 0.86 ROCK2 (0.53) BACE1BCHEACHEDRD4
SCHEMBL5754314 0.84 ACHE (0.55) BACE1BCHEACHEDPP7DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023118319-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE BioVersys AG (CH) 2023-06-29 WO disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-20120115876-A1 N-BENZYL-4-METHYLENEAMINO-3-HYDROXY-2-PYRIDONES WARSHAKOON NAMAL CHITHRANGA (US) 2012-05-10 US disclosed
US-8133894-B2 N-benzyl-4-methyleneamino-3-hydroxy-2-pyridones AKEBIA THERAPEUTICS INC. (US) 2012-03-13 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20100305097-A1 N-BENZYL-4-METHYLENEAMINO-3-HYDROXY-2-PYRIDONES WARNER CHILCOTT COMPANY, LLC 2010-12-02 US disclosed
US-20080090847-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AS D-ALANYL-D-ALANINE LIGASE INHIBITORS PLIVA D.D. (HR) 2008-04-17 US disclosed
US-20080090847-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AS D-ALANYL-D-ALANINE LIGASE INHIBITORS PLIVA D.D. (HR) 2008-04-17 US disclosed
US-7345048-B2 Heterocyclic compounds and uses thereof as D-alanyl-D-alanine ligase inhibitors PLIVA D.D. (HR) 2008-03-18 US disclosed
US-7345048-B2 Heterocyclic compounds and uses thereof as D-alanyl-D-alanine ligase inhibitors PLIVA D.D. (HR) 2008-03-18 US disclosed
US-20070270407-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY 2007-11-22 US disclosed
US-20070270407-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY 2007-11-22 US disclosed
US-7247648-B2 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY (US) 2007-07-24 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-20040097560-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY 2004-05-20 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 (9 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-20120115876-A1 N-BENZYL-4-METHYLENEAMINO-3-HYDROXY-2-PYRIDONES IL17A, IFNG, CD4 BACE1 2250/4885BCHE 1798/4885ACHE 2538/4885
US-20040097560-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones IL17A, CYP51A1, CD4 BACE1 1957/4885BCHE 2549/4885ACHE 2865/4885
US-20070270407-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones IL17A, IFNG, CD4 BACE1 2475/4885BCHE 2283/4885ACHE 2442/4885
US-20100305097-A1 N-BENZYL-4-METHYLENEAMINO-3-HYDROXY-2-PYRIDONES IL17A, IFNG, CD4 BACE1 2250/4885BCHE 1798/4885ACHE 2538/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 BACE1 2889/4885BCHE 3613/4885ACHE 1346/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A BACE1 179/4885BCHE 2624/4885ACHE 2479/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 BACE1 2889/4885BCHE 3613/4885ACHE 1346/4885
US-20080090847-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AS D-ALANYL-D-ALANINE LIGASE INHIBITORS AAAS, ALAD, NAALAD2 BACE1 500/4885BCHE 335/4885ACHE 624/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE BACE1 2634/4885BCHE 721/4885ACHE 3736/4885

“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.