SCHEMBL1708157

SCHEMBL1708157

CCc1nc2ccccc2n1-c1cccc(CNc2ccc3c(c2)OC[C@H]3CC(=O)OC)c1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.38
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
PPARD Q03181 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
SCHEMBL1708632 0.94 FFAR1 (0.36) FFAR1NTRK1NTRK2NPC1RAB9A
SCHEMBL10291337 0.92 TSHR (0.39) FFAR1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL1708257 0.92 FFAR1 (0.44) FFAR1NTRK1NTRK2TSHRSMN1; SMN2
SCHEMBL1708439 0.91 FFAR1 (0.40) FFAR1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL1708028 0.91 FFAR1 (0.37) FFAR1L3MBTL1MAPTTP53PPARD
SCHEMBL1707998 0.91 FFAR1 (0.37) FFAR1ALDH1A1MAPTPPARD
SCHEMBL1708102 0.91 FFAR1 (0.37) FFAR1NTRK1NTRK2NPC1RAB9A
SCHEMBL1708164 0.91 FFAR1 (0.37) FFAR1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL1708113 0.90 FFAR1 (0.40) FFAR1NPC1TSHRSMN1; SMN2HTT
SCHEMBL1708135 0.90 FFAR1 (0.39) FFAR1LMNAGAAPOLBPPARD

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 20/4885NTRK1 2493/4885NTRK2 2399/4885

“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.