SCHEMBL1708140

SCHEMBL1708140

COC(=O)C[C@@H]1COc2cc(NCc3cccc(-n4c(C)nc5ccc(OC)cc54)c3C)ccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
NPC1 O15118 2/20 0.36
PPARD Q03181 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
RAB9A P51151 1/20 0.35
PPARG P37231 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL1708302 0.94 FFAR1 (0.43) FFAR1PPARDPPARG
SCHEMBL1708109 0.93 FFAR1 (0.37) FFAR1GAANPC1PPARDSMN1; SMN2
SCHEMBL1708082 0.91 FFAR1 (0.36) FFAR1NPC1PPARDSMN1; SMN2RAB9A
SCHEMBL10291337 0.91 TSHR (0.39) FFAR1POLBGAANPC1PPARD
SCHEMBL1708151 0.91 FFAR1 (0.40) FFAR1POLBGAANPC1PPARD
SCHEMBL1708083 0.89 LMNA (0.43) FFAR1PPARDPPARG
SCHEMBL1708095 0.88 SMN1; SMN2 (0.39) FFAR1GAAGFERNPC1PPARD
SCHEMBL1708439 0.87 FFAR1 (0.40) FFAR1POLBGAAGFERNPC1
SCHEMBL1708153 0.87 SMN1; SMN2 (0.40) FFAR1NPC1PPARDSMN1; SMN2RAB9A
SCHEMBL1708303 0.87 SMN1; SMN2 (0.37) POLBGFERNPC1SMN1; SMN2PIK3CD

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 20/4885POLB 4829/4885GAA 3185/4885

“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.