SCHEMBL6036147

SCHEMBL6036147

CC(C)c1nn(-c2ccc(Br)cn2)cc1CCCO

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PANK3 Q9H999 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
OGA O60502 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
GRIA1 P42261 2/20 0.30

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
SCHEMBL6035604 0.88 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL6036231 0.86 PANK3 (0.32) PANK3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6034668 0.85 CYP11B1 (0.34) CYP11B1CYP11B2RAB9AGRIA1
SCHEMBL6035787 0.85 CYP11B1 (0.34) CYP11B1CYP11B2PANK3MAPTALDH1A1
SCHEMBL6035366 0.83
SCHEMBL6035571 0.82 KCNJ1 (0.44) MAPTGRIA1
SCHEMBL6034887 0.82 CNR1 (0.37) PANK3KDM4EMAPTNPC1ALDH1A1
SCHEMBL6035090 0.82 KDM4E (0.39) CYP11B1CYP11B2PANK3KDM4EALDH1A1
SCHEMBL6036358 0.81 CYP11B1 (0.34) CYP11B1CYP11B2KDM4EMAPTGRIN2D
SCHEMBL6035601 0.81 MAPT (0.39) PANK3MAPTNPC1ALDH1A1RAB9A

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
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 CYP11B1 19/4885CYP11B2 51/4885PANK3 4579/4885

“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.