SCHEMBL6035787

SCHEMBL6035787

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PANK3 Q9H999 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
EGLN1 Q9GZT9 3/20 0.32
TLR8 Q9NR97 2/20 0.31
GCGR P47871 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
OGA O60502 1/20 0.31
MAPT P10636 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 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
SCHEMBL6035516 0.88 CYP11B1 (0.33) CYP11B1CYP11B2CNR1CNR2ALDH1A1
SCHEMBL6035163 0.87 CNR1 (0.36) CNR1CNR2PANK3ALDH1A1EGLN1
SCHEMBL6036231 0.86 PANK3 (0.32) PANK3EGLN1GCGRHTR1ADRD2
SCHEMBL6036147 0.85 CYP11B1 (0.34) CYP11B1CYP11B2PANK3ALDH1A1OGA
SCHEMBL6034668 0.85 CYP11B1 (0.34) CYP11B1CYP11B2CNR1CNR2GCGR
SCHEMBL6034887 0.82 CNR1 (0.37) CNR1CNR2PANK3ALDH1A1TLR8
SCHEMBL6035090 0.82 KDM4E (0.39) CYP11B1CYP11B2CNR1CNR2PANK3
SCHEMBL6035571 0.82 KCNJ1 (0.44) EGLN1KMT2AMAPTGRIA1
SCHEMBL6036107 0.81 CNR1 (0.39) CYP11B1CYP11B2CNR1CNR2ALDH1A1
SCHEMBL6035601 0.81 MAPT (0.39) PANK3ALDH1A1MEN1KMT2AMAPT

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 51/4885CNR1 804/4885

“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.