SCHEMBL5799407

SCHEMBL5799407

O=C(CCc1cnoc1-c1ccc(Cl)c(F)c1)Nc1ccc(C[P]2(O)OCCCO2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.35
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
CDK8 P49336 2/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
CCNC P24863 1/20 0.34
CDK19 Q9BWU1 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PARP1 P09874 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
LMNA P02545 1/20 0.33
MAPK10 P53779 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL5799418 0.93 GPR183 (0.36) MCHR1CYP11B1CYP11B2CDK8CHRM1
SCHEMBL5799394 0.92 MCHR1 (0.35) MCHR1CYP11B1CYP11B2CNR2CNR1
SCHEMBL5799130 0.89 MCHR1 (0.34) MCHR1CDK8CHRM1HTR2ACCNC
SCHEMBL5798611 0.88 MCHR1 (0.43) MCHR1CNR2CNR1CDK8CCNC
SCHEMBL5800098 0.88 MCHR1 (0.43) MCHR1CDK8CHRM1HTR2ACCNC
SCHEMBL5796394 0.87 MCHR1 (0.37) MCHR1CDK8CHRM1HTR2ACCNC
SCHEMBL5796443 0.84 MAPT (0.38) CDK8CCNCCDK19MAPTLMNA
SCHEMBL5796816 0.84 MAPT (0.47) MAPTNPSR1LMNAHSD17B10
SCHEMBL5799399 0.84 MCHR1 (0.36) MCHR1CYP11B1CYP11B2CNR2CNR1
SCHEMBL5799411 0.84 GPR183 (0.36) MCHR1CDK8CHRM1HTR2ACCNC

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 MCHR1 2026/4885CYP11B1 10/4885CYP11B2 13/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MCHR1 2036/4885CYP11B1 9/4885CYP11B2 16/4885

“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.