SCHEMBL5773845

SCHEMBL5773845

O=C(CCc1cnoc1-c1ccc(F)c(Cl)c1)N1CCC(O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ENPP2 Q13822 1/20 0.39
GRIN2B Q13224 7/20 0.39
POLB P06746 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
FYN P06241 1/20 0.37
CA2 P00918 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5773832 0.86 SMN1; SMN2 (0.41) TNKSPARP1PARP2ENPP2ALDH1A1
SCHEMBL5771554 0.86 GRIN2B (0.40) GRIN2BTRPV1CCNCCDK8ALDH1A1
SCHEMBL5775415 0.82 ENPP2 (0.40) TNKSPARP1PARP2ENPP2GRIN2B
Trifluoroacetic Acid SCHEMBL5771806 0.82 POLB (0.47) TNKSPARP1PARP2GRIN2BPOLB
SCHEMBL5775627 0.82 KMT2A (0.49) ALDH1A1HPGDLMNATP53MAPT
SCHEMBL5773586 0.81 MAPT (0.43) POLBTRPV1CCNCCDK8ALDH1A1
SCHEMBL5774812 0.80 FFAR1 (0.42)
SCHEMBL5777338 0.76 CCNC (0.41) GRIN2BFYNCCNCCDK8ALDH1A1
SCHEMBL5799823 0.75 KMT2A (0.55) PARP1POLBALDH1A1LMNAMAPT
SCHEMBL5776181 0.74 KDM4E (0.38) POLBALDH1A1HPGDLMNAMAPT

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 TNKS 4694/4885PARP1 4263/4885PARP2 4416/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TNKS 4025/4885PARP1 3102/4885PARP2 4083/4885

“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.