SCHEMBL9911081

SCHEMBL9911081

CN1CCCC(c2nn[nH]n2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
DRD2 P14416 2/20 0.36
KCNH2 Q12809 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 1/20 0.36
LTA4H P09960 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
PEPD P12955 1/20 0.36
XPNPEP1 Q9NQW7 1/20 0.36
PTGDR Q13258 1/20 0.36
DRD3 P35462 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PARP1 P09874 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
LSS P48449 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
SCHEMBL12259816 1.00 HSD11B1 (0.43) HSD11B1DRD2KCNH2HTR2AHTR2C
SCHEMBL13804294 0.90 LTA4H (0.40) HSD11B1LTA4HPEPDXPNPEP1PTGDR
SCHEMBL12258707 0.90 LTA4H (0.40) HSD11B1LTA4HPEPDXPNPEP1PTGDR
SCHEMBL13804284 0.81 HSD11B1 (0.41) HSD11B1DRD2HTR2ALTA4HPEPD
SCHEMBL13804311 0.81 HSD11B1 (0.41) HSD11B1DRD2HTR2ALTA4HPEPD
SCHEMBL15998448 0.81 HSD11B1 (0.41) HSD11B1DRD2HTR2ALTA4HPEPD
SCHEMBL12259103 0.80 HSD11B1 (0.41) HSD11B1DRD2KCNH2PEPDXPNPEP1
SCHEMBL12259069 0.80 HSD11B1 (0.41) HSD11B1DRD2KCNH2PEPDXPNPEP1
SCHEMBL13783323 0.79 LTA4H (0.44) HSD11B1LTA4HPEPDXPNPEP1ITGB2
SCHEMBL13783347 0.74 GRIK1 (0.40) HSD11B1LTA4HGRIK1GRIA1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891019-B1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMA INC (US) 2012-07-25 EP disclosed
US-8193183-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS INC. (US) 2012-06-05 US disclosed
US-8193183-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS INC. (US) 2012-06-05 US disclosed
US-7517889-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7517889-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
WO-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 WO disclosed
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-18 US disclosed
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-18 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 (2 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-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 HSD11B1 2848/4885DRD2 362/4885KCNH2 2450/4885
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 HSD11B1 2848/4885DRD2 362/4885KCNH2 2450/4885

“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.