SCHEMBL5772900

SCHEMBL5772900

CN(C(=O)CCc1cnoc1-c1ccc(F)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.46
GRIN2B Q13224 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
S1PR1 P21453 1/20 0.38
DPP4 P27487 2/20 0.37
DPP9 Q86TI2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL5776131 0.84 LMNA (0.42) GRIN2BKCNH2LMNAKMT2AMEN1
Trifluoroacetic Acid SCHEMBL5776922 0.80 MCHR1 (0.43) GRIN2BKCNH2LMNAKMT2AMEN1
SCHEMBL5775136 0.79 BACE1 (0.47) BACE1GRIN2BLMNAKMT2AMEN1
SCHEMBL5777123 0.78 HPGD (0.50) LMNAALDH1A1KMT2AMEN1NPC1
Trifluoroacetic Acid SCHEMBL5774584 0.77 MEN1 (0.44) KCNH2KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5773114 0.75 LMNA (0.41) BACE1KCNH2LMNAKMT2AL3MBTL1
SCHEMBL5769884 0.75 NPC1 (0.54) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL5773998 0.75 FFAR1 (0.46) LMNAMAPTALDH1A1L3MBTL1
SCHEMBL5775388 0.75 POLB (0.37) LMNAALDH1A1L3MBTL1RAB9A
SCHEMBL5773468 0.74 LMNA (0.46) LMNAMAPTALDH1A1KMT2AMEN1

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-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR BACE1 1040/4885GRIN2B 2007/4885KCNH2 1149/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 BACE1 619/4885GRIN2B 2374/4885KCNH2 834/4885

“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.