SCHEMBL3595332

SCHEMBL3595332

CCOC(=O)CCc1ccc(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS1 P09382 1/20 0.35
OPRM1 P35372 2/20 0.35
LMNA P02545 1/20 0.35
OPRD1 P41143 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
ABCB1 P08183 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 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
SCHEMBL3597893 0.94 OPRK1 (0.36) OPRM1MAOAMAOBMEN1KMT2A
SCHEMBL13254125 0.94 SIGMAR1 (0.37) LGALS1OPRM1MAOAMAOBMEN1
SCHEMBL3590079 0.92 EPHX2 (0.38) MAOAMAPTFAAHACHE
SCHEMBL3598302 0.91 BCHE (0.36) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL3595245 0.90 SIGMAR1 (0.33) OPRM1LMNAMAOAALDH1A1PGR
SCHEMBL3589591 0.90 MAPK1 (0.35) OPRM1MAPTALDH1A1KMT2APGR
SCHEMBL3597869 0.90 ALDH1A1 (0.35) LMNAMAOAMAPTALDH1A1MEN1
SCHEMBL3592165 0.90 HTR2A (0.45) LGALS1MAPTALDH1A1MEN1AGTR1
SCHEMBL3589423 0.89 MAOA (0.39) OPRM1MAOAMAOBMAPTPGR
SCHEMBL13254140 0.89 SIGMAR1 (0.37) OPRM1MAOAMAOBPGRCHRM2

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 2 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
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 LGALS1 3108/4885OPRM1 1582/4885LMNA 4335/4885

“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.