SCHEMBL4237083

SCHEMBL4237083

CC1(C)C=Cc2c(C#N)cccc2O1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.37
PTPN1 P18031 1/20 0.36
MGAM O43451 1/20 0.36
PDE4D Q08499 1/20 0.35
HIF1A Q16665 6/20 0.35
TRPA1 O75762 2/20 0.35
ALOX5 P09917 1/20 0.35
IDO1 P14902 1/20 0.34
HTR2C P28335 1/20 0.34
BCHE P06276 1/20 0.34
CTSV O60911 1/20 0.34
TSHR P16473 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
SCHEMBL30860295 0.78 HIF1A (0.36) PTPN1PDE4DHIF1AALOX5HTR2C
SCHEMBL29785076 0.74 ALOX5 (0.50) DYRK1APTPN1MGAMPDE4DHIF1A
SCHEMBL19436272 0.74 ALOX5 (0.50) DYRK1APTPN1MGAMPDE4DHIF1A
SCHEMBL7299153 0.72 TSHR (0.32) TRPA1TSHR
SCHEMBL4234524 0.70 PTPN1 (0.53) DYRK1APTPN1MGAMPDE4DHIF1A
SCHEMBL2965853 0.69 HSD17B10 (0.35) PTPN1PDE4DALOX5IDO1TSHR
SCHEMBL16011620 0.68 HIF1A (0.45) PTPN1MGAMPDE4DHIF1ABCHE
SCHEMBL4046829 0.67 TRPA1 (0.34) TRPA1TSHR
SCHEMBL23124246 0.67 KDM1A (0.43) TSHR
SCHEMBL2013649 0.66 PTPN1 (0.39) PTPN1PDE4DHIF1AALOX5BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
CN-101305005-A Novel diazaspiroalkanes and their use for treatment of CCR8 mediated diseases ASTRAZENECA AB (SE) 2008-11-12 CN disclosed
EP-1926730-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2008-06-04 EP disclosed
WO-2007030061-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-03-15 WO 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 (1 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-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES CCR8, CCR1, CCR10 DYRK1A 4255/4885PTPN1 2000/4885MGAM 4563/4885

“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.