SCHEMBL6035102

SCHEMBL6035102

CC(C)c1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PANK3 Q9H999 1/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
HPGD P15428 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HDAC4 P56524 1/20 0.35
ACACB O00763 1/20 0.35
TIPARP Q7Z3E1 1/20 0.34
MAPT P10636 6/20 0.33
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
OGA O60502 2/20 0.33
APAF1 O14727 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMO Q99835 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL6034887 0.97 CNR1 (0.37) CNR1CNR2PANK3SMN1; SMN2HPGD
SCHEMBL6035380 0.92 CNR1 (0.39) CNR1CNR2PANK3SMN1; SMN2HPGD
SCHEMBL6035221 0.87 CNR1 (0.40) CNR1CNR2PANK3SMN1; SMN2HPGD
SCHEMBL6036267 0.87 SMN1; SMN2 (0.39) CNR1CNR2PANK3SMN1; SMN2HPGD
SCHEMBL6035475 0.86 SMN1; SMN2 (0.36) CNR1CNR2SMN1; SMN2HPGDHDAC4
SCHEMBL6035148 0.85 GCGR (0.39) CNR1CNR2SMN1; SMN2HPGDHRH3
SCHEMBL6035178 0.85 SMN1; SMN2 (0.34) CNR1CNR2PANK3SMN1; SMN2HPGD
SCHEMBL6035184 0.83 HRH3 (0.36) PANK3SMN1; SMN2HPGDHRH3HDAC4
SCHEMBL6035578 0.83 GAA (0.36) CNR1CNR2PANK3SMN1; SMN2HPGD
SCHEMBL6036226 0.82 ACACB (0.32) ACACBTIPARP

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 CNR1 804/4885CNR2 1576/4885PANK3 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.