SCHEMBL482006

SCHEMBL482006

CC(C)(C)C1CC(CN)CCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.36
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
LMNA P02545 1/20 0.34
DPP4 P27487 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GABRR1 P24046 4/20 0.32
GABRR2 P28476 1/20 0.32
RIPK1 Q13546 1/20 0.31
HTT P42858 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
SCHEMBL5345793 0.88 SMYD3 (0.38) DPP4SMYD3CHRM2CHRM1CHRM3
SCHEMBL1810381 0.85 NR1H2 (0.33) LMNADPP4RIPK1
SCHEMBL18322450 0.85 RIPK1 (0.34) DPP4RIPK1
SCHEMBL3586527 0.84 RIPK1 (0.31) DPP4RIPK1
SCHEMBL1640341 0.84 RIPK1 (0.31) DPP4RIPK1
SCHEMBL25436699 0.84 CHRM1 (0.40) DPP4SMYD3CHRM2CHRM1CHRM3
SCHEMBL619575 0.83 TYMP (0.33) DPP4SMYD3RIPK1
SCHEMBL28362675 0.82 NR1H2 (0.38) DPP4CHRM2CHRM1CHRM3
SCHEMBL2525440 0.81
SCHEMBL7990391 0.81 PREP (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464287-B1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2022-06-08 EP disclosed
US-11344554-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2022-05-31 US disclosed
US-20200330469-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2020-10-22 US disclosed
US-10736899-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2020-08-11 US disclosed
US-10420771-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2019-09-24 US disclosed
EP-3464287-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS Celgene Corporation (US) 2019-04-10 EP disclosed
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2018-10-04 US disclosed
US-10016436-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2018-07-10 US disclosed
WO-2017210399-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORPORATION (US) 2017-12-07 WO disclosed
US-20170348316-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORPORATION 2017-12-07 US disclosed
US-20110256064-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-like Proteins AC IMMUNE, S.A. (CH) 2011-10-20 US disclosed
EP-2377860-A1 Novel compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC Immune S.A. (CH) 2011-10-19 EP disclosed
EP-1558609-A4 KINASE INHIBITORS MERCK & CO INC (US) 2008-05-28 EP disclosed
US-7217716-B2 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK & CO., INC. (US) 2007-05-15 US disclosed
US-7053089-B2 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK & CO., INC. (US) 2006-05-30 US disclosed
EP-1558609-A2 KINASE INHIBITORS Merck & Co., Inc. (US) 2005-08-03 EP disclosed
WO-2005033129-A1 ANTIBACTERIAL AMIDE MACROCYCLES BAYER HEALTHCARE AG (DE) 2005-04-14 WO disclosed
US-20040209889-A1 N-substituted nonaryl-heterocyclic nmda/nr2b antagonists MERCK SHARP & DOHME CORP. 2004-10-21 US disclosed
WO-2004041164-A2 KINASE INHIBITORS MERCK & CO., INC. (US) 2004-05-21 WO disclosed
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK SHARP & DOHME LLC 2002-11-07 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 (10 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-20200330469-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP NCF1 1449/4885PLG 2777/4885PLAT 2601/4885
US-20170348316-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, NUDT1, UMPS NCF1 1494/4885PLG 2672/4885PLAT 2765/4885
US-10420771-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP NCF1 1423/4885PLG 2421/4885PLAT 2537/4885
US-10736899-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP NCF1 1449/4885PLG 2777/4885PLAT 2601/4885
US-10016436-B2 Animal and human anti-malarial agents HPRT1, NUDT1, UMPS NCF1 1494/4885PLG 2672/4885PLAT 2765/4885
US-20040209889-A1 N-substituted nonaryl-heterocyclic nmda/nr2b antagonists GRIN1, GRIN2B, GRIN2A NCF1 376/4885PLG 4738/4885PLAT 4874/4885
US-20110256064-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-like Proteins APP, PSEN1, PSEN2 NCF1 2638/4885PLG 1720/4885PLAT 2958/4885
US-11344554-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP NCF1 1449/4885PLG 2777/4885PLAT 2601/4885
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP NCF1 1449/4885PLG 2777/4885PLAT 2601/4885
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists GRIN1, GRIN2B, GRIN2A NCF1 367/4885PLG 4747/4885PLAT 4877/4885

“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.