SCHEMBL7980753

SCHEMBL7980753

CC(C)(Oc1ccc(Cl)cc1F)c1nnc(-c2ccc(C(N)=O)cc2Cl)n1C1CC1

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD11B1 P28845 2/20 0.37
TPH1 P17752 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
KCNH2 Q12809 1/20 0.36
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
HSD11B2 P80365 1/20 0.35
OPRD1 P41143 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
SCHEMBL7980107 0.94 OPRM1 (0.39) HSD11B1OPRM1OPRK1KCNH2BRD4
SCHEMBL7978176 0.93 OPRM1 (0.36) HSD11B1OPRM1OPRK1KCNH2OPRD1
SCHEMBL7984885 0.90 HSD11B1 (0.36) MEN1KMT2AHSD11B1BRD4BRD2
SCHEMBL7982078 0.89 HSD11B1 (0.38) HSD11B1HSD11B2
SCHEMBL7981874 0.87 HSD11B1 (0.43) HSD11B1
SCHEMBL7968275 0.87 HSD11B2 (0.39) MEN1KMT2AHSD11B1HSD11B2
SCHEMBL7984992 0.86 HSD11B1 (0.34) MEN1KMT2AHSD11B1
SCHEMBL1418168 0.85 OPRM1 (0.38) OPRM1OPRK1KCNH2
SCHEMBL12671342 0.85 SCN9A (0.37) MEN1KMT2AHSD11B1
SCHEMBL7984202 0.84 OPRM1 (0.36) HSD11B1OPRM1OPRK1KCNH2HSD11B2

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
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
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP 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 MEN1 2484/4885KMT2A 2930/4885HSD11B1 1/4885

“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.