SCHEMBL2575883

SCHEMBL2575883

COc1cc(-n2ccc3nc(-c4ccc(C(F)(F)F)cc4)sc3c2=O)ccc1OC1CN(C2CCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.46
CHRM4 P08173 1/20 0.35
CYP3A4 P08684 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2C P28335 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35
HTR5A P47898 1/20 0.35
KCNH2 Q12809 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL2575869 0.90 MCHR1 (0.48) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL2574529 0.89 HRH3 (0.43) MCHR1KCNH2HRH3
SCHEMBL12002941 0.89 MCHR1 (0.39) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL12003328 0.89 MCHR1 (0.46) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL12002925 0.88 MCHR1 (0.48) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL12002799 0.88 MCHR1 (0.47) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL2576500 0.87 MCHR1 (0.46) MCHR1HTR2CHTR2BTRPV1
SCHEMBL2581676 0.87 MCHR1 (0.47) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL2585800 0.84 MCHR1 (0.42) MCHR1
SCHEMBL12002844 0.84 MCHR1 (0.45) MCHR1CHRM4CYP3A4CHRM5ADRA2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089397-B1 5- [4- (AZETIDIN-3-YL0XY) -PHENYL]-2-PHENYL-5H-THIAZ0L0 [5,4-C]PYRIDIN-4-0NE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-08-29 EP disclosed
US-8049013-B2 5- [4-(azetidin-3-yloxy)-phenyl]-2-phenyl-5H-thiazolo[5,4-C] pyridin-4-one derivatives and their use as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-11-01 US disclosed
US-20100069352-A1 5- [4-(AZETIDIN-3-YLOXY)-PHENYL]-2-PHENYL-5H-THIAZOLO[5,4-C] PYRIDIN-4-ONE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-18 US 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 (1 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-20100069352-A1 5- [4-(AZETIDIN-3-YLOXY)-PHENYL]-2-PHENYL-5H-THIAZOLO[5,4-C] PYRIDIN-4-ONE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, HCRTR1 MCHR1 1/4885CHRM4 112/4885CYP3A4 1344/4885

“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.