SCHEMBL7980107

SCHEMBL7980107

CC(C)(Oc1ccc(Cl)cc1F)c1nnc(-c2ccc(C(N)=O)cc2F)n1C1CC1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
OPRK1 P41145 3/20 0.39
KCNH2 Q12809 1/20 0.39
HSD11B1 P28845 1/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
GRM2 Q14416 2/20 0.36
ALDH1A1 P00352 1/20 0.36
OPRD1 P41143 2/20 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
SCHEMBL7980753 0.94 MEN1 (0.38) OPRM1OPRK1KCNH2HSD11B1BRD4
SCHEMBL1418168 0.91 OPRM1 (0.38) OPRM1OPRK1KCNH2ALDH1A1
SCHEMBL12671320 0.89 PARP1 (0.37) HSD11B1
SCHEMBL7979761 0.89 OPRM1 (0.37) OPRM1OPRK1KCNH2ALDH1A1OPRD1
SCHEMBL7984202 0.89 OPRM1 (0.36) OPRM1OPRK1KCNH2HSD11B1ALDH1A1
SCHEMBL7987584 0.87 HSD11B1 (0.43) HSD11B1BRD4BRD2
SCHEMBL7978176 0.87 OPRM1 (0.36) OPRM1OPRK1KCNH2HSD11B1OPRD1
SCHEMBL7979711 0.86 HSD11B1 (0.36) HSD11B1ALDH1A1
SCHEMBL7992166 0.84 HSD11B1 (0.37) KCNH2HSD11B1BRD4BRD2
SCHEMBL7981358 0.84 MDM2 (0.39) HSD11B1BRD4BRD2

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 2870/4885KCNH2 1893/4885

“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.