SCHEMBL3597893

SCHEMBL3597893

CCOC(=O)CCc1cccc(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.36
SLC5A7 Q9GZV3 1/20 0.35
CCR8 P51685 1/20 0.35
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
ABCB1 P08183 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL3595332 0.94 LGALS1 (0.35) PGRCHRM2ABCB1HTR1AADRA2A
SCHEMBL13254140 0.94 SIGMAR1 (0.37) OPRK1SLC5A7CCR8PGRCHRM2
SCHEMBL3596514 0.92 OPRK1 (0.39) OPRK1SLC5A7MAOAMEN1KMT2A
SCHEMBL3598302 0.90 BCHE (0.36) MEN1KMT2A
SCHEMBL3595245 0.90 SIGMAR1 (0.33) PGRCHRM2ABCB1HTR1AADRA2A
SCHEMBL3589591 0.90 MAPK1 (0.35) PGRCHRM2ABCB1HTR1AADRA2A
SCHEMBL3600053 0.89 ALDH1A1 (0.37) MEN1KMT2A
SCHEMBL13254125 0.89 SIGMAR1 (0.37) PGRCHRM2ABCB1HTR1AADRA2A
SCHEMBL13282375 0.88 SIGMAR1 (0.41) OPRK1SLC5A7PGRCHRM2ABCB1
SCHEMBL3603023 0.88 SIGMAR1 (0.40) OPRK1KCNH2MAOASIGMAR1

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
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 OPRK1 598/4885SLC5A7 3618/4885CCR8 162/4885

“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.