SCHEMBL3587005

SCHEMBL3587005

COc1cc(CC(=O)O)ccc1O[C@H]1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
CCR5 P51681 1/20 0.37
MAPK1 P28482 1/20 0.37
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
ABCB1 P08183 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL4716312 1.00 SIGMAR1 (0.38) SIGMAR1CCR5MAPK1PGRCHRM2
SCHEMBL3589581 1.00 SIGMAR1 (0.38) SIGMAR1CCR5MAPK1PGRCHRM2
SCHEMBL3596388 0.96 SIGMAR1 (0.39) SIGMAR1CCR5MAPK1ALDH1A1KDM4E
SCHEMBL13254149 0.93 SIGMAR1 (0.36) SIGMAR1CCR5MAPK1PGRCHRM2
SCHEMBL13254148 0.93 SIGMAR1 (0.36) SIGMAR1CCR5MAPK1PGRCHRM2
SCHEMBL3592151 0.92 MEN1 (0.40) SIGMAR1CCR5MAPK1KCNH2HRH2
SCHEMBL3591379 0.92 HRH2 (0.38) SIGMAR1CCR5MAPK1KCNH2HRH2
SCHEMBL3601167 0.92 ACHE (0.37) SIGMAR1CCR5HRH2ALDH1A1KDM4E
SCHEMBL3589013 0.92 ALDH1A1 (0.37) SIGMAR1CCR5HRH2ALDH1A1KDM4E
SCHEMBL3591374 0.92 HRH2 (0.38) SIGMAR1CCR5MAPK1KCNH2HRH2

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 5 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
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 588/4885CCR5 958/4885MAPK1 703/4885

“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.