SCHEMBL6036397

SCHEMBL6036397

CC(C)c1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCOc1cc(CCC(=O)O)n(C)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.36
MLYCD O95822 2/20 0.35
PKM P14618 1/20 0.34
GCG P01275 5/20 0.33
LTB4R Q15722 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
HDAC4 P56524 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARD Q03181 2/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL6036332 0.98 GCGR (0.36) GCGRMLYCDPKMGCGLTB4R
SCHEMBL6035279 0.92 GCGR (0.37) GCGRMLYCDPKMGCGNR1H4
SCHEMBL6036403 0.91 GCGR (0.36) GCGRMLYCDGCGLTB4RHDAC4
SCHEMBL6035849 0.90 MLYCD (0.36) GCGRMLYCDGCGLTB4RHDAC4
SCHEMBL6036236 0.88 MLYCD (0.35) GCGRMLYCDGCGLTB4RHDAC4
SCHEMBL6035943 0.87 GCGR (0.38) GCGRPKMGCGLTB4RNR1H4
SCHEMBL6035777 0.87 SMN1; SMN2 (0.37) GCGRPKMGCGLTB4RNR1H4
SCHEMBL6036211 0.86 GCG (0.35) GCGRMLYCDGCGHRH3CNR1
SCHEMBL6035755 0.85 GCGR (0.37) GCGRPKMGCGLTB4RNR1H4
SCHEMBL6035628 0.84 GCGR (0.37) GCGRMLYCDGCGHDAC4HRH3

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 GCGR 93/4885MLYCD 962/4885PKM 2082/4885

“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.