SCHEMBL12671306

SCHEMBL12671306

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.36
PDE4A P27815 1/20 0.35
MCHR1 Q99705 3/20 0.35
KCNH2 Q12809 1/20 0.35
HSD11B1 P28845 1/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
KDM1A O60341 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
EGLN2 Q96KS0 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
SCHEMBL12671333 0.94 GPR6 (0.36) GPR6MCHR1KCNH2HSD11B1BRD4
SCHEMBL12671233 0.91 GPR6 (0.39) GPR6
SCHEMBL12671310 0.89 PDE4A (0.38) PDE4ACYP11B1CYP11B2EGLN2
SCHEMBL12671356 0.89 PDE4A (0.35) PDE4AGPR119KDM1ACYP11B1CYP11B2
SCHEMBL12671309 0.88 GPR6 (0.34) GPR6PDE4AMCHR1KCNH2CYP11B1
SCHEMBL12671322 0.87 HSD11B1 (0.45) HSD11B1BRD4BRD2KDM1AEGLN2
SCHEMBL12671330 0.86 GPR6 (0.39) GPR6
SCHEMBL7979711 0.86 HSD11B1 (0.36) HSD11B1
SCHEMBL12671368 0.83 MDM2 (0.37) GPR6HSD11B1EGLN2
SCHEMBL12671317 0.83 HSD11B1 (0.38) HSD11B1BRD4BRD2CYP11B2EGLN2

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 2 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 GPR6 4412/4885PDE4A 1846/4885MCHR1 2886/4885

“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.