SCHEMBL1840585

SCHEMBL1840585

COc1ccc(C2=NC3(CCCCC3)C(=O)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
BACE1 P56817 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1839448 0.72 ALDH1A1 (0.49) ALDH1A1HPGDTDP1HTTMAPT
SCHEMBL3570017 0.72 TSHR (0.67) ALDH1A1HPGDTDP1
SCHEMBL4522111 0.71 POLB (0.67) ALDH1A1
SCHEMBL18903457 0.66 ACHE (0.38) ALDH1A1HPGDTDP1HTTBACE1
SCHEMBL10509909 0.62 ALDH1A1 (0.56) ALDH1A1HPGDMAPTTP53LMNA
SCHEMBL3182411 0.62 ALDH1A1 (0.44) ALDH1A1HPGDTDP1HTTMAPT
SCHEMBL10898182 0.62 SLC6A4 (0.54) ALDH1A1HPGDTDP1MAPTMAPK1
SCHEMBL10424199 0.61 ME2 (0.69) TDP1MAPTTP53ME2ME1
SCHEMBL10112733 0.61 SLC6A4 (0.58) ALDH1A1GRIN1GRIN2AGRIN2BSLC6A4
SCHEMBL10086337 0.61 SLC6A4 (0.58) ALDH1A1GRIN1GRIN2AGRIN2BSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957205-B2 Cycloalkane carboxamide derivatives and production process of same SEIKAGAKU CORPORATION (JP) 2015-02-17 US disclosed
US-8829209-B2 Cycloalkylcarbonylamino acid ester derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2014-09-09 US disclosed
US-8785631-B2 Oxazolone derivative compounds having a 3-oxa-1-azaspiro[4.5] core SEIKAGAKU CORPORATION (JP) 2014-07-22 US disclosed
US-8481725-B2 Cycloalkylcarbonylamino acid derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2013-07-09 US disclosed
EP-1975162-B1 OXAZOLONE DERIVATIVE SEIKAGAKU KOGYO CO LTD (JP) 2012-08-15 EP disclosed
EP-1972636-B1 CYCLOALKYLCARBONYLAMINO ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU KOGYO CO LTD (JP) 2011-05-25 EP disclosed
EP-2036920-B1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU KOGYO CO LTD (JP) 2011-05-18 EP disclosed
US-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same SEIKAGAKU CORPORATION (JP) 2009-06-18 US disclosed
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same SEIKAGAKU CORPORATION (JP) 2009-05-28 US disclosed
US-20090131661-A1 Oxazolone Derivatives SEIKAGAKU CORPORATION (JP) 2009-05-21 US disclosed
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same SEIKAGAKU CORPORATION (JP) 2009-04-30 US disclosed
EP-2036920-A1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU CORPORATION (JP) 2009-03-18 EP disclosed
EP-1975162-A1 OXAZOLONE DERIVATIVE SEIKAGAKU CORPORATION (JP) 2008-10-01 EP disclosed
EP-1972636-A1 CYCLOALKYLCARBONYLAMINO ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 EP disclosed
EP-1972615-A1 CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 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-20090131661-A1 Oxazolone Derivatives CTSK, CTSZ, CTSV ALDH1A1 1191/4885HPGD 1353/4885TDP1 3760/4885
US-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same CTSK, CTSS, CTSB ALDH1A1 1899/4885HPGD 1843/4885TDP1 4455/4885
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same CTSK, CTSS, CTSE ALDH1A1 2527/4885HPGD 3718/4885TDP1 4313/4885
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same CTSK, CTSS, CTSV ALDH1A1 1496/4885HPGD 2975/4885TDP1 4396/4885

“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.