SCHEMBL6035636

SCHEMBL6035636

OCc1cc(OCc2ccccc2)nn1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
CYP2D6 P10635 2/20 0.41
HTR2C P28335 4/20 0.41
SLC6A4 P31645 4/20 0.41
HTR2A P28223 2/20 0.41
FABP3 P05413 2/20 0.37
FABP4 P15090 2/20 0.37
KCNJ6 P48051 1/20 0.37
KCNJ3 P48549 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37

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
SCHEMBL6035132 0.78 KDM4E (0.44) HRH3FABP3FABP4KCNJ6KCNJ3
SCHEMBL6035128 0.78 KDM4E (0.44) HRH3FABP3FABP4KCNJ6KCNJ3
SCHEMBL6036020 0.78 LMNA (0.43) HRH3HTR2CSLC6A4HTR2AKCNJ6
SCHEMBL6035812 0.74 PKM (0.56)
SCHEMBL4850371 0.73 MDM2 (0.44)
SCHEMBL1131895 0.72 HRH3 (0.48) HRH3CYP2D6FABP3FABP4
SCHEMBL5111208 0.71 PKM (0.43) HRH3HTR2CSLC6A4HTR2A
SCHEMBL24265561 0.70 MAP4K3 (0.46) SLC6A4
SCHEMBL6034505 0.70 CNR2 (0.41) HRH3CYP2D6HTR2CSLC6A4HTR2A
SCHEMBL16347382 0.69 KDM4E (0.43) KCNJ6KCNJ3

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 HRH3 1083/4885CYP2D6 216/4885HTR2C 3613/4885

“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.