SCHEMBL5774326

SCHEMBL5774326

O=C(CCc1cnoc1-c1ccc(F)cc1)N1CCSCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.39
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
GFER P55789 1/20 0.38
DPP4 P27487 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
RIPK1 Q13546 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
SCHEMBL5774738 0.88 LMNA (0.46) KMT2AMEN1LMNAHPGDNPC1
SCHEMBL5773468 0.88 LMNA (0.46) KMT2AMEN1LMNAHPGDNPC1
SCHEMBL5776036 0.88 LMNA (0.46) KMT2AMEN1LMNAHPGDNPC1
SCHEMBL5771554 0.85 GRIN2B (0.40) ME2ME1ME3GFERKMT2A
SCHEMBL5799823 0.83 KMT2A (0.55) KMT2ALMNAL3MBTL1NPC1RAB9A
SCHEMBL5776181 0.82 KDM4E (0.38) ME2ME1ME3KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5776834 0.81 HTT (0.46) ME2ME1ME3GFERKMT2A
SCHEMBL5772700 0.80 DRD2 (0.45) GFERKMT2AMEN1CCNCCDK8
Trifluoroacetic Acid SCHEMBL5777433 0.80 GFER (0.53) GFERKMT2AMEN1LMNAHPGD
SCHEMBL5770603 0.80 KDM4E (0.59) KMT2AMEN1LMNAHPGDTP53

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 GABRA5 707/4885ME2 1001/4885ME1 1101/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 GABRA5 991/4885ME2 652/4885ME1 576/4885

“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.