SCHEMBL5799394

SCHEMBL5799394

O=C(CCc1cnoc1-c1ccc(Cl)c(F)c1)Nc1ccc(CP2(=O)OCCCO2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.35
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
CDK8 P49336 2/20 0.33
CCNC P24863 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL5799411 0.93 GPR183 (0.36) MCHR1CHRM1HTR2ACDK8CCNC
SCHEMBL5799407 0.92 MCHR1 (0.35) MCHR1CHRM1HTR2ATRPV1PTGDR2
SCHEMBL5799124 0.89 MCHR1 (0.34) MCHR1CHRM1HTR2ACDK8CCNC
SCHEMBL5800094 0.88 MCHR1 (0.43) MCHR1CHRM1HTR2ACDK8CCNC
SCHEMBL5798599 0.88 MCHR1 (0.43) MCHR1CHRM1HTR2ACNR2CNR1
SCHEMBL5796387 0.87 MCHR1 (0.37) MCHR1CHRM1HTR2APTGDR2CDK8
SCHEMBL5796433 0.84 MAPT (0.38) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5799399 0.84 MCHR1 (0.36) MCHR1CHRM1HTR2ATRPV1PTGDR2
SCHEMBL5799418 0.84 GPR183 (0.36) MCHR1CHRM1HTR2ACYP11B1CYP11B2
SCHEMBL5796809 0.84 MAPT (0.47) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2

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 2026/4885CHRM1 921/4885HTR2A 3540/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MCHR1 2036/4885CHRM1 1055/4885HTR2A 3486/4885

“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.