SCHEMBL3595245

SCHEMBL3595245

CCOC(=O)CCc1ccccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
PTGDR Q13258 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
ABCB1 P08183 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 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
SCHEMBL3596933 0.92 PTGDR (0.39) SIGMAR1PTGDRBCHEALOX5MAOA
SCHEMBL3595332 0.90 LGALS1 (0.35) ALDH1A1PGRCHRM2ABCB1HTR1A
SCHEMBL3598302 0.90 BCHE (0.36) ALDH1A1POLBKDM4EBCHEACHE
SCHEMBL3597893 0.90 OPRK1 (0.36) SIGMAR1PGRCHRM2ABCB1HTR1A
SCHEMBL3589591 0.90 MAPK1 (0.35) ALDH1A1PGRCHRM2ABCB1HTR1A
SCHEMBL3596978 0.88 BCHE (0.34) ALDH1A1ABCB1POLBKDM4EBCHE
SCHEMBL3599950 0.88 POLB (0.38) ALDH1A1POLBPDE4BPDE4DLMNA
SCHEMBL13254255 0.88 MAPK1 (0.36) SIGMAR1PGRCHRM2ABCB1HTR1A
SCHEMBL3597700 0.87 MAPK1 (0.34) ALDH1A1PGRCHRM2ABCB1HTR1A
SCHEMBL3598752 0.87 MAPT (0.34) ALDH1A1PGRCHRM2ABCB1HTR1A

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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 (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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 SIGMAR1 588/4885PTGDR 1045/4885ALDH1A1 4118/4885

“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.