SCHEMBL6036020

SCHEMBL6036020

COC(=O)c1cc(OCc2ccccc2)nn1C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
KCNJ6 P48051 2/20 0.42
KCNJ3 P48549 2/20 0.42
HTR2C P28335 3/20 0.42
SLC6A4 P31645 3/20 0.42
HTR2A P28223 2/20 0.42
KCNJ5 P48544 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR3A P46098 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39

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
SCHEMBL6035128 0.80 KDM4E (0.44) LMNAKCNJ6KCNJ3SGMS2ALDH1A1
SCHEMBL6035132 0.80 KDM4E (0.44) LMNAKCNJ6KCNJ3SGMS2ALDH1A1
SCHEMBL4509093 0.78 PKM (0.55) LMNAHPGDALDH1A1CNR1
SCHEMBL38663117 0.78 TBXA2R (0.37) LMNAHPGDALDH1A1HTR3A
SCHEMBL6035636 0.78 HRH3 (0.43) KCNJ6KCNJ3HTR2CSLC6A4HTR2A
SCHEMBL4850867 0.76 SMN1; SMN2 (0.52) LMNAHPGDALDH1A1TP53
SCHEMBL5106101 0.76 SMN1; SMN2 (0.50) LMNAHPGDHTR2CSLC6A4HTR2A
SCHEMBL5112459 0.76 LMNA (0.48) LMNAHPGDHTR2CSLC6A4HTR2A
SCHEMBL5112110 0.75 HPGD (0.47) LMNAHPGDALDH1A1CNR1
SCHEMBL6035336 0.74 ALDH1A1 (0.42) ALDH1A1TP53MAPK13MAPK12MAPK11

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 LMNA 1816/4885HPGD 3297/4885KCNJ6 2711/4885

“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.