SCHEMBL10042012

SCHEMBL10042012

CCC(CC)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 3/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KCNA5 P22460 1/20 0.32
MGLL Q99685 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL19101348 0.91 ALDH1A1 (0.37) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL3101172 0.86 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL13259740 0.86 ALDH1A1 (0.37) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL6042938 0.86 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL7177989 0.86 DPP4 (0.39) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL15998648 0.84 KMT2A (0.36) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL1028091 0.84 ALDH1A1 (0.36) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL23435385 0.83 KCNH2 (0.39) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL10041858 0.83 ALDH1A1 (0.35) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL24070108 0.83 ALDH1A1 (0.35) ALDH1A1KMT2ALMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101704795-A Hydrochloric acid 2-(1-ethyl propyl) moroxydine, preparation method and application thereof SHANGHAI SHUANGKE PHARMACEUTIC 2010-05-12 CN claimed
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US disclosed
WO-2022002100-A1 NOVEL BENZIMIDAZOLE COMPOUND 微境生物医药科技(上海)有限公司 2022-01-06 WO disclosed
EP-3500574-B1 SECO-CYCLOPROPAPYRROLOINDOLE COMPOUNDS, ANTIBODY-DRUG CONJUGATES THEREOF, AND METHODS OF MAKING AND USE BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed
WO-2021064077-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-04-08 WO disclosed
US-10696679-B2 Methods and compounds for treating paramyxoviridae virus infections GILEAD SCIENCES, INC. (US) 2020-06-30 US disclosed
US-10640472-B2 Phenoxymethyl derivatives HOFFMAN-LA ROCHE INC. (US) 2020-05-05 US disclosed
US-RE47396-E1 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2019-05-21 US disclosed
US-20190055251-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2019-02-21 US disclosed
WO-2019022600-A1 TREATING PATHOLOGICAL CONDITIONS BY DIRECT AND INDIRECT TARGETING OF SIRPA - CD47 INTERACTION Stichting Het Nederlands Kanker Instituut-Antoni van Leeuwenhoek Ziekenhuis (NL) 2019-01-31 WO disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20090281082-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 US disclosed
US-20090281082-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 US disclosed
US-20090099096-A1 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. 2009-04-16 US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 US disclosed
US-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication JANSSEN SCIENCES IRELAND UC (IE) 2008-06-19 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
EP-1847532-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 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-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, RTF2 ALDH1A1 1249/4885KMT2A 1525/4885LMNA 2183/4885
US-10696679-B2 Methods and compounds for treating paramyxoviridae virus infections PNP, RPIA, HPRT1 ALDH1A1 1927/4885KMT2A 2178/4885LMNA 1211/4885
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG ALDH1A1 4028/4885KMT2A 3968/4885LMNA 4759/4885
US-20090281082-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 ALDH1A1 4106/4885KMT2A 1554/4885LMNA 2070/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 ALDH1A1 131/4885KMT2A 530/4885LMNA 2843/4885
US-20190055251-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 ALDH1A1 1927/4885KMT2A 2178/4885LMNA 1211/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 ALDH1A1 131/4885KMT2A 530/4885LMNA 2843/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE ALDH1A1 2788/4885KMT2A 1777/4885LMNA 2126/4885
US-20090099096-A1 AZA-peptide protease inhibitors DNPEP, ANPEP, PEPD ALDH1A1 4015/4885KMT2A 1076/4885LMNA 3446/4885

“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.