SCHEMBL1587367

SCHEMBL1587367

O=C(O)c1cnc(N[C@H]2CCOC2)nc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HSD11B1 P28845 10/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ EPHX2 P34913 1/20 0.43

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
SCHEMBL1587867 1.00 CNR2 (0.45) CNR2CYP2D6CYP2C19CYP1A2HDAC3
SCHEMBL1587368 1.00 CNR2 (0.45) CNR2CYP2D6CYP2C19CYP1A2HDAC3
SCHEMBL12796044 0.93 HDAC3 (0.49) CNR2CYP2D6CYP2C19CYP1A2HDAC3
SCHEMBL15397162 0.88 CNR2 (0.46) CNR2CYP2D6CYP2C19CYP1A2HDAC3
SCHEMBL1587831 0.87 MAPT (0.49) CNR2CYP2D6CYP2C19CYP1A2HDAC3
SCHEMBL1587842 0.87 MAPT (0.49) CNR2CYP2D6CYP2C19CYP1A2HDAC3
SCHEMBL1587833 0.87 MAPT (0.49) CNR2CYP2D6CYP2C19CYP1A2HDAC3
SCHEMBL3770097 0.81 CDK2 (0.46) CNR2HDAC1MAPK8MAPK9
SCHEMBL12795998 0.80 MAPT (0.51) CNR2CYP2D6CYP2C19CYP1A2HDAC3
SCHEMBL1587440 0.79 HSD11B1 (0.61) HDAC3HDAC1HDAC2HDAC6HSD11B1

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
WO-2011049520-A1 ADAMANTYL IMINOCARBONYL-SUBSTITUTED PYRIMIDINES AS INHIBITORS OF 1 1 BETAHSD1 ASTRAZENECA AB (SE) 2011-04-28 — — WO disclosed
US-20110092526-A1 Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1 826 ASTRAZENECA AB (SE) 2011-04-21 — — US disclosed
US-20110092526-A1 Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1 826 ASTRAZENECA AB (SE) 2011-04-21 — — US disclosed
US-20110092526-A1 Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1 826 ASTRAZENECA AB (SE) 2011-04-21 — — 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-20110092526-A1 Adamantyl Iminocarbonyl-Substituted Pyrimidines As Inhibitors Of 11-Beta-HSD1 826 HSD11B1, HSD17B11, HSD3B1 CNR2 3611/4885CYP2D6 44/4885CYP2C19 71/4885

“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.

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