SCHEMBL9924115

SCHEMBL9924115

CC(C)(C)CN1CC[C@H](O)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KCNA3 P22001 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
LTA4H P09960 1/20 0.33
HRH2 P25021 2/20 0.31
HRH1 P35367 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31

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
SCHEMBL9924116 1.00 ALDH1A1 (0.41) ALDH1A1GAAKDM4EXBP1MAPK1
SCHEMBL4569249 1.00 ALDH1A1 (0.41) ALDH1A1GAAKDM4EXBP1MAPK1
SCHEMBL12772416 0.88 ALDH1A1 (0.46) ALDH1A1GAAKDM4EXBP1MAPK1
SCHEMBL14503937 0.88 ALDH1A1 (0.46) ALDH1A1GAAKDM4EXBP1MAPK1
SCHEMBL13683427 0.88 ALDH1A1 (0.46) ALDH1A1GAAKDM4EXBP1MAPK1
SCHEMBL9924110 0.86 KDM4E (0.43) ALDH1A1GAAKDM4EHTTKCNA3
SCHEMBL25588742 0.85 ALDH1A1 (0.40) ALDH1A1GAAKDM4EXBP1MAPK1
SCHEMBL20908481 0.82 ALDH1A1 (0.38) ALDH1A1GAAKDM4EXBP1MAPK1
SCHEMBL9924117 0.81 GAA (0.32) GAA
SCHEMBL14504066 0.81 GLB1 (0.31) ALDH1A1GAAKDM4E

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-20210069193-A1 JAK1 INHIBITORS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROMES INCYTE CORPORATION 2021-03-11 US disclosed
US-20190111058-A1 JAK1 INHIBITORS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROMES INCYTE CORPORATION 2019-04-18 US disclosed
EP-2804861-B1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS SYK INHIBITORS GENOSCO (US) 2018-02-28 EP disclosed
US-9359358-B2 Cyclohexyl azetidine derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-06-07 US disclosed
US-20150246046-A1 JAK1 INHIBITORS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROMES INCYTE CORPORATION 2015-09-03 US disclosed
US-8871778-B2 Substituted pyrimidine compounds and their use as SYK inhibitors GENOSCO (US) 2014-10-28 US disclosed
US-20130274242-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS SYK INHIBITORS Genosco Inc. 2013-10-17 US disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-20130045963-A1 Cyclohexyl Azetidine Derivatives as JAK Inhibitors INCYTE CORPORATION (US) 2013-02-21 US disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 ALDH1A1 3960/4885GAA 611/4885KDM4E 1313/4885
US-20190111058-A1 JAK1 INHIBITORS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROMES JAK1, JAK2, JAK3 ALDH1A1 1802/4885GAA 4569/4885KDM4E 894/4885
US-20130274242-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS SYK INHIBITORS SYK, BTK, LCK ALDH1A1 2796/4885GAA 725/4885KDM4E 1964/4885
US-20150246046-A1 JAK1 INHIBITORS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROMES JAK1, JAK2, JAK3 ALDH1A1 1802/4885GAA 4569/4885KDM4E 894/4885
US-20210069193-A1 JAK1 INHIBITORS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROMES JAK1, JAK2, JAK3 ALDH1A1 1802/4885GAA 4569/4885KDM4E 894/4885
US-20120115819-A1 Pentacycline Compounds TSLP, IL5, IL17A ALDH1A1 1598/4885GAA 2938/4885KDM4E 3958/4885
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 ALDH1A1 3224/4885GAA 2645/4885KDM4E 3818/4885
US-20130045963-A1 Cyclohexyl Azetidine Derivatives as JAK Inhibitors JAK1, JAK2, JAK3 ALDH1A1 2907/4885GAA 1820/4885KDM4E 162/4885
US-20120149674-A1 Diaryl Substituted Alkanes ALOX5, ALOX15, LTB4R2 ALDH1A1 328/4885GAA 2133/4885KDM4E 2311/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALDH1A1 328/4885GAA 2133/4885KDM4E 2311/4885

“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.