SCHEMBL3598804

SCHEMBL3598804

CC(Oc1ccc2c(c1)CCN(CC(O)(c1cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc13)C(F)(F)F)C2)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.37
S1PR3 Q99500 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
CYP2C9 P11712 1/20 0.33
EGFR P00533 1/20 0.33
CHRM4 P08173 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRA2A P08913 1/20 0.33
ALOX5 P09917 1/20 0.33
ADRB3 P13945 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
TACR2 P21452 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 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
SCHEMBL3598806 1.00 ACACB (0.37) ACACBS1PR3OPRM1OPRD1OPRK1
SCHEMBL3597957 0.89 PSEN1 (0.40) ACACBOPRM1OPRD1OPRK1
SCHEMBL13254288 0.88 FAAH (0.38) ACACBOPRM1OPRD1OPRK1
SCHEMBL3593083 0.87 PLA2G2A (0.40) ACACBOPRM1OPRD1OPRK1DRD2
SCHEMBL13254290 0.86 MOGAT2 (0.38) ACACB
SCHEMBL3604171 0.85 ABCB1 (0.43)
SCHEMBL3602665 0.85 PLA2G4A (0.38) DRD2
SCHEMBL3602945 0.83 ALDH1A1 (0.34) SLC6A2HTR2BSLC6A3
SCHEMBL3605255 0.81 ACHE (0.36) OPRM1ADRA2AALOX5DRD1TBXA2R
SCHEMBL3600038 0.81 ACHE (0.36) OPRM1ADRA2AALOX5DRD1TBXA2R

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 1 patent. 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

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 ACACB 4410/4885S1PR3 2176/4885OPRM1 1582/4885

“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.