SCHEMBL1708146

SCHEMBL1708146

COC(=O)C[C@@H]1COc2cc(NCc3cccc(-n4c(C5CC5)nc5ccccc54)c3C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.36
TSHR P16473 2/20 0.34
BMI1 P35226 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
PPARD Q03181 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
HRH1 P35367 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
SCHEMBL10012602 0.93 FFAR1 (0.41) FFAR1PPARDPPARGPPARA
SCHEMBL1708638 0.92 FFAR1 (0.37) FFAR1SMN1; SMN2POLBGAAPPARD
SCHEMBL10291337 0.91 TSHR (0.39) FFAR1TSHRMAPK1LMNAHTT
SCHEMBL13046478 0.90 TSHR (0.35) FFAR1TSHRMAPK1LMNAHTT
SCHEMBL1708157 0.90 FFAR1 (0.38) FFAR1TSHRMAPK1LMNAHTT
SCHEMBL1708164 0.90 FFAR1 (0.37) FFAR1TSHRMAPK1LMNAHTT
SCHEMBL1708074 0.88 ALDH1A1 (0.36) FFAR1TSHRMAPK1LMNAHTT
SCHEMBL1708632 0.88 FFAR1 (0.36) FFAR1TSHRMAPK1LMNAHTT
SCHEMBL1708614 0.88 LMNA (0.39) FFAR1TSHRMAPK1LMNAHTT
SCHEMBL1708113 0.88 FFAR1 (0.40) FFAR1TSHRMAPK1LMNAHTT

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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R FFAR1 20/4885TSHR 637/4885BMI1 2098/4885

“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.