SCHEMBL5772098

SCHEMBL5772098

O=C(CCc1cnoc1-c1ccc(F)cc1)N1CC[C@H](NC(=O)C(F)(F)F)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
C3AR1 Q16581 3/20 0.38
KDM5B Q9UGL1 1/20 0.37
ENPP2 Q13822 1/20 0.37
MLNR O43193 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
GRIN2B Q13224 2/20 0.35
GFER P55789 1/20 0.35
MC4R P32245 1/20 0.34
KCNH2 Q12809 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 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
SCHEMBL5770782 0.92 ENPP2 (0.36) C3AR1KDM5BENPP2TRPV1GFER
SCHEMBL5775415 0.88 ENPP2 (0.40) C3AR1ENPP2GRIN2BGFER
SCHEMBL5774144 0.85 ENPP2 (0.42) LMNARAB9AC3AR1KDM5BENPP2
SCHEMBL5771554 0.80 GRIN2B (0.40) KDM4ELMNAMAPTRAB9AC3AR1
SCHEMBL5771819 0.80 RAB9A (0.42) KDM4ELMNAMAPTRAB9AC3AR1
SCHEMBL5776181 0.79 KDM4E (0.38) KDM4ELMNAMAPTRAB9A
SCHEMBL5775704 0.79 LMNA (0.39) KDM4ELMNAMAPTRAB9AGRIN2B
Trifluoroacetic Acid SCHEMBL5777361 0.78 MAPT (0.44) KDM4ELMNAMAPT
SCHEMBL5799823 0.78 KMT2A (0.55) KDM4ELMNAMAPTRAB9A
Trifluoroacetic Acid SCHEMBL5773673 0.78 KDM4E (0.43) KDM4ELMNAMAPT

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 KDM4E 3953/4885LMNA 2770/4885MAPT 4701/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 KDM4E 3347/4885LMNA 2605/4885MAPT 4763/4885

“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.