SCHEMBL6036155

SCHEMBL6036155

CCCCc1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCOc1nn(C)cc1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
GCGR P47871 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 2/20 0.34
PPARG P37231 3/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
GCG P01275 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.32
ROCK2 O75116 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
HDAC4 P56524 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
SCHEMBL6035764 0.96 HCRTR1 (0.36) HCRTR1HCRTR2GCGRSMN1; SMN2HPGD
SCHEMBL6035046 0.93 HCRTR1 (0.36) HCRTR1HCRTR2GCGRSMN1; SMN2HPGD
SCHEMBL6035725 0.91 HCRTR1 (0.35) HCRTR1HCRTR2GCGRSMN1; SMN2HPGD
SCHEMBL6035903 0.89 SMN1; SMN2 (0.41) HCRTR1HCRTR2GCGRSMN1; SMN2HPGD
SCHEMBL6034614 0.88 GCGR (0.39) HCRTR1HCRTR2GCGRSMN1; SMN2HPGD
SCHEMBL6036296 0.87 HCRTR1 (0.36) HCRTR1HCRTR2GCGRSMN1; SMN2HPGD
SCHEMBL6034593 0.86 HCRTR1 (0.37) HCRTR1HCRTR2GCGRSMN1; SMN2HPGD
SCHEMBL1632906 0.86 GCGR (0.34) HCRTR1HCRTR2GCGRSMN1; SMN2HPGD
SCHEMBL6034987 0.86 PPARD (0.40) SMN1; SMN2KDM4EPPARGLMNAPTGDR2
SCHEMBL6034602 0.84 PTGDR2 (0.38) HCRTR1HCRTR2GCGRSMN1; SMN2HPGD

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 1 patent. 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

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 HCRTR1 215/4885HCRTR2 321/4885GCGR 93/4885

“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.