SCHEMBL1018743

SCHEMBL1018743

CN(C)C=C(C(=O)NC1C2CC3CC1CC(OCc1ccccc1)(C3)C2)C(=O)C1(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.45
HSD11B1 P28845 8/20 0.36
HSD11B2 P80365 3/20 0.36
IDH1 O75874 2/20 0.34
FAAH O00519 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL1013882 1.00 EPHX2 (0.45) EPHX2HSD11B1HSD11B2IDH1FAAH
SCHEMBL1012588 0.79 EPHX2 (0.42) EPHX2HSD11B1HSD11B2IDH1FAAH
SCHEMBL13667475 0.77 EPHX2 (0.41) EPHX2HSD11B1HSD11B2IDH1FAAH
SCHEMBL1403242 0.75 MAPK1 (0.37) EPHX2HSD11B1
SCHEMBL14260964 0.70 HSD11B1 (0.60) HSD11B1HSD11B2
SCHEMBL14260965 0.70 HSD11B1 (0.60) HSD11B1HSD11B2
SCHEMBL12887783 0.70 CPB1 (0.46) EPHX2HSD11B1HSD11B2
SCHEMBL13661600 0.69 EPHX2 (0.39) EPHX2FAAHCNR1CNR2
SCHEMBL6488572 0.68 FAAH (0.38) EPHX2HSD11B1FAAHCNR1CNR2
SCHEMBL6488566 0.68 FAAH (0.38) EPHX2HSD11B1FAAHCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP claimed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO claimed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US claimed
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 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 (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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 EPHX2 756/4885HSD11B1 2/4885HSD11B2 9/4885

“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.