SCHEMBL3598299

SCHEMBL3598299

O=C(O)c1ccc(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.39
CCR3 P51677 2/20 0.39
KCNH2 Q12809 2/20 0.39
ACHE P22303 3/20 0.38
SSTR5 P35346 1/20 0.38
DRD4 P21917 1/20 0.37
OPRK1 P41145 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
FAAH O00519 1/20 0.37
BCHE P06276 2/20 0.36
ALOX5 P09917 1/20 0.36
MAOA P21397 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
ADRB2 P07550 1/20 0.36
CHEK2 O96017 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
SCHEMBL3598580 0.94 MAPT (0.39) ACHEOPRK1FAAHBCHEALOX5
SCHEMBL3582964 0.93 CNR2 (0.41) KCNH2CHRM2BCHE
SCHEMBL3599604 0.93 OPRK1 (0.45) HRH1CCR3KCNH2DRD4OPRK1
SCHEMBL3592076 0.93 SIGMAR1 (0.41) HRH1CCR3ACHESSTR5FAAH
SCHEMBL3592557 0.92 SIGMAR1 (0.40) HRH1CCR3KCNH2ACHEFAAH
SCHEMBL3589423 0.92 MAOA (0.39) KCNH2ACHECHRM2FAAHMAOA
SCHEMBL3590079 0.91 EPHX2 (0.38) ACHEFAAHBCHEALOX5MAOA
SCHEMBL3590034 0.91 LMNA (0.42) ADRB2
SCHEMBL3600499 0.90 HRH1 (0.37) HRH1CCR3ACHEOPRK1FAAH
SCHEMBL13282376 0.90 SIGMAR1 (0.39) KCNH2ACHECHRM2FAAHBCHE

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 HRH1 1293/4885CCR3 433/4885KCNH2 2033/4885

“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.