SCHEMBL7984202

SCHEMBL7984202

CC(C)(Oc1ccc(F)cc1Cl)c1nnc(-c2ccc(C(N)=O)cc2F)n1C1CC1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRD1 P41143 1/20 0.36
KCNH2 Q12809 1/20 0.36
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 2/20 0.36
HSD11B1 P28845 1/20 0.36
HSD11B2 P80365 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PYGL P06737 1/20 0.35

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
SCHEMBL7982078 0.94 HSD11B1 (0.38) HSD11B1HSD11B2PYGL
SCHEMBL1418168 0.92 OPRM1 (0.38) OPRM1OPRK1KCNH2ALDH1A1
SCHEMBL7978176 0.90 OPRM1 (0.36) OPRM1OPRK1OPRD1KCNH2HSD11B1
SCHEMBL7980107 0.89 OPRM1 (0.39) OPRM1OPRK1OPRD1KCNH2HSD11B1
SCHEMBL12671324 0.87 HSD11B1 (0.40) HSD11B1
SCHEMBL7979761 0.87 OPRM1 (0.37) OPRM1OPRK1OPRD1KCNH2ALDH1A1
SCHEMBL7970837 0.87 MEN1 (0.36)
SCHEMBL7978100 0.87 HSD11B1 (0.33) HSD11B1HSD11B2ALDH1A1
SCHEMBL12671320 0.85 PARP1 (0.37) PARP1PARP2HSD11B1
SCHEMBL7978689 0.85 GPR119 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 OPRM1 4217/4885OPRK1 2870/4885OPRD1 1661/4885

“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.