SCHEMBL6043536

SCHEMBL6043536

COCCCN1CCN(C=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 3/20 0.35
TEAD3 Q99594 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC29A1 Q99808 1/20 0.35
MEN1 O00255 1/20 0.35
RAD52 P43351 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 2/20 0.34
DRD3 P35462 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
DRD2 P14416 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL6043797 0.94 ALDH1A1 (0.40) HSD17B10ALDH1A1GAAKDM4ESLC29A1
SCHEMBL1783126 0.88 HSD11B1 (0.41) HSD17B10ALDH1A1GAAKDM4EMEN1
SCHEMBL28734482 0.87 HSD17B10 (0.37) HSD17B10ALDH1A1GAAKDM4EMEN1
SCHEMBL11575418 0.83
SCHEMBL10924619 0.83 ALDH1A1 (0.39) ALDH1A1KDM4ESLC29A1RAB9ADRD3
SCHEMBL6042757 0.83 TEAD3 (0.38) HSD17B10ALDH1A1TEAD3KDM4ERAB9A
SCHEMBL5574053 0.81 HSD17B10 (0.47) HSD17B10HRH3HTR1ASIGMAR1
SCHEMBL10930283 0.79 HSD11B1 (0.42) ALDH1A1KDM4ESLC29A1RAB9ADRD3
SCHEMBL6042277 0.78 DRD2 (0.40) HSD17B10ALDH1A1KDM4ESLC29A1MEN1
SCHEMBL8880908 0.78 ALDH1A1 (0.38) ALDH1A1KDM4ESLC29A1MEN1KMT2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
EP-2852596-B1 THIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 EP disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
EP-2203457-B1 DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2014-03-05 EP disclosed
US-8067620-B2 Cis-adamantane-2-spiro-3'-8'-[4'-[2'-(4'-morpholinyl)ethoxy]phenyl]-1',2',4'-trioxaspiro[4.5]decane mesylate (OZ439); nonneurotoxic; pharmacokinetics; stability; oral absorption; bioavailability; anticarcinogenic agents; single-dose cure;antiprotozoan agents; parasiticides; schistosomiasis; MEDICINES FOR MALARIA VENTURE MMV (CH) 2011-11-29 US disclosed
US-8067620-B2 Cis-adamantane-2-spiro-3'-8'-[4'-[2'-(4'-morpholinyl)ethoxy]phenyl]-1',2',4'-trioxaspiro[4.5]decane mesylate (OZ439); nonneurotoxic; pharmacokinetics; stability; oral absorption; bioavailability; anticarcinogenic agents; single-dose cure;antiprotozoan agents; parasiticides; schistosomiasis; MEDICINES FOR MALARIA VENTURE MMV (CH) 2011-11-29 US disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
WO-2009058859-A2 DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2009-05-07 WO disclosed
US-20080125411-A1 DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2008-05-29 US disclosed
US-20080125411-A1 DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2008-05-29 US disclosed
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 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 (4 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-20080125411-A1 DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS DHODH, THPO, SQLE HSD17B10 883/4885ALDH1A1 319/4885TEAD3 3140/4885
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 HSD17B10 2560/4885ALDH1A1 395/4885TEAD3 3627/4885
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 HSD17B10 1219/4885ALDH1A1 1039/4885TEAD3 4702/4885
US-20150133425-A1 THIENOPYRIMIDINES TYMP, DPYD, TYMS HSD17B10 2213/4885ALDH1A1 469/4885TEAD3 489/4885

“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.