SCHEMBL1708255

SCHEMBL1708255

COC(=O)C[C@@H]1COc2cc(NCc3cccc(-n4cnc5cccc(C)c54)c3C)ccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.40
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 5/20 0.36
PPARD Q03181 5/20 0.36
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL1708640 0.92 FFAR1 (0.46) FFAR1PPARGPPARD
SCHEMBL1708642 0.85 MAPT (0.35) FFAR1MAPTKDM4ETDP1GPR55
SCHEMBL1708135 0.85 FFAR1 (0.39) FFAR1PPARGPPARDPOLBLMNA
SCHEMBL10291337 0.81 TSHR (0.39) FFAR1MAPTL3MBTL1PPARGPPARD
SCHEMBL1708245 0.80 FFAR1 (0.39) FFAR1PPARGPPARDPOLBLMNA
SCHEMBL1708164 0.79 FFAR1 (0.37) FFAR1MAPTKDM4ETDP1GPR55
SCHEMBL1708157 0.79 FFAR1 (0.38) FFAR1MAPTL3MBTL1PPARDPOLB
SCHEMBL1708113 0.79 FFAR1 (0.40) FFAR1MAPTL3MBTL1PPARGPPARD
SCHEMBL1708146 0.78 FFAR1 (0.36) FFAR1PPARGPPARDPOLBLMNA
SCHEMBL1708632 0.78 FFAR1 (0.36) FFAR1L3MBTL1PPARDLMNAALDH1A1

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 20/4885MAPT 4721/4885KDM4E 3896/4885

“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.