SCHEMBL19419

SCHEMBL19419

CCN(CC)CCCOc1cc[c]cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
HRH3 Q9Y5N1 2/20 0.50
EBP Q15125 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL5536172 0.95 MAOA (0.50) MAOB
SCHEMBL5542660 0.93 MAOA (0.52) MAOB
SCHEMBL5542033 0.93 MAOA (0.52) MAOB
SCHEMBL187890 0.91 EBP (0.57) KDM4EHRH3EBPSIGMAR1
SCHEMBL2574799 0.87 ATP4A (0.49) HRH3
SCHEMBL2181780 0.84 DRD2 (0.46) KDM4EEBPSIGMAR1
SCHEMBL25288225 0.82 EBP (0.43) KDM4EEBPSIGMAR1
SCHEMBL2181408 0.82 DRD2 (0.44) EBPSIGMAR1
SCHEMBL6676718 0.81 LTA4H (0.62) KDM4E
SCHEMBL188273 0.81 KDM4E (0.63) KDM4EHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US claimed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO claimed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US claimed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP claimed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US claimed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO claimed
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
US-11261185-B2 Bicyclic heterocyclic derivatives MERCK PATENT GMBH (DE) 2022-03-01 US disclosed
US-11026936-B2 Piperidinyl-propanone derivatives MERCK PATENT GMBH (DE) 2021-06-08 US disclosed
US-20210002278-A1 BICYCLIC HETEROCYCLIC DERIVATIVES MERCK PATENT GMBH (DE) 2021-01-07 US disclosed
US-10829489-B2 Bicyclic heterocyclic derivatives MERCK PATENT GMBH (DE) 2020-11-10 US disclosed
US-20200253949-A1 PIPERIDINYL-PROPANONE DERIVATIVES MERCK PATENT GMBH (DE) 2020-08-13 US disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO disclosed
EP-1155001-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2003-05-28 EP disclosed
EP-1155001-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2001-11-21 EP disclosed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO disclosed
EP-0072932-B1 PIPERAZINONES, THEIR PREPARATION AND USE CASSELLA Aktiengesellschaft (DE) 1990-01-17 EP disclosed
US-4598079-A MEMORY DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1986-07-01 US disclosed
EP-0072932-A2 Piperazinones, their preparation and use CASSELLA Aktiengesellschaft (DE) 1983-03-02 EP 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-11026936-B2 Piperidinyl-propanone derivatives PDK2, PDK3, PDK1 KDM4E 1276/4885HRH3 3449/4885EBP 702/4885
US-20210002278-A1 BICYCLIC HETEROCYCLIC DERIVATIVES PDK1, PDK2, PDK3 KDM4E 1395/4885HRH3 3582/4885EBP 1300/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B KDM4E 3968/4885HRH3 978/4885EBP 2679/4885
US-20200253949-A1 PIPERIDINYL-PROPANONE DERIVATIVES PDK2, PDK3, PDK1 KDM4E 1276/4885HRH3 3449/4885EBP 702/4885
US-10829489-B2 Bicyclic heterocyclic derivatives PDK1, PDK2, PDK3 KDM4E 1395/4885HRH3 3582/4885EBP 1300/4885
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 KDM4E 2362/4885HRH3 4039/4885EBP 958/4885
US-11261185-B2 Bicyclic heterocyclic derivatives PDK1, PDK2, PDK3 KDM4E 1395/4885HRH3 3582/4885EBP 1300/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR KDM4E 4180/4885HRH3 3324/4885EBP 3660/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B KDM4E 4138/4885HRH3 1008/4885EBP 2112/4885

“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.