SCHEMBL3597957

SCHEMBL3597957

O=C(O)COc1ccc2c(c1)CCN(CC(O)(c1cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc13)C(F)(F)F)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
FAAH O00519 2/20 0.38
ACHE P22303 2/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
FFAR1 O14842 1/20 0.35
ACACB O00763 1/20 0.34
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
S1PR1 P21453 1/20 0.34
MOGAT2 Q3SYC2 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
SCHEMBL13254288 0.93 FAAH (0.38) FAAHACHEOPRM1OPRD1OPRK1
SCHEMBL3593083 0.93 PLA2G2A (0.40) OPRM1OPRD1OPRK1ACACBMOGAT2
SCHEMBL3598804 0.89 ACACB (0.37) OPRM1OPRD1OPRK1ACACB
SCHEMBL3598806 0.89 ACACB (0.37) OPRM1OPRD1OPRK1ACACB
SCHEMBL13254290 0.89 MOGAT2 (0.38) ACACBS1PR1MOGAT2
SCHEMBL3602665 0.87 PLA2G4A (0.38) ACHEAKR1C3
SCHEMBL3604171 0.85 ABCB1 (0.43)
SCHEMBL13254227 0.84 NPC1 (0.46) FAAHACHEPTGDR2L3MBTL1
SCHEMBL3602945 0.83 ALDH1A1 (0.34)
SCHEMBL3595537 0.82 S1PR5 (0.42) PTGDR2

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 PSEN1 3554/4885PSEN2 4017/4885APH1B 4270/4885

“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.