SCHEMBL3599436

SCHEMBL3599436

COc1cc(CCC(=O)O)cc(OC)c1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc(C(=O)O)ccc23)C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
CNR2 P34972 1/20 0.36
HRH2 P25021 2/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
BACE1 P56817 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
SCHEMBL3600425 0.95 OPRK1 (0.39) BCHEACHECNR2SIGMAR1LMNA
SCHEMBL3588123 0.94 CYSLTR2 (0.39) BCHEACHEHRH2CYSLTR2CYSLTR1
SCHEMBL3581750 0.93 ACHE (0.35) BCHEACHECNR2SIGMAR1LMNA
SCHEMBL3592305 0.93 ACHE (0.36) BCHEACHECNR2SIGMAR1LMNA
SCHEMBL3602675 0.93 BCHE (0.35) BCHEACHECNR2HRH2CYSLTR2
SCHEMBL3590608 0.92 ACHE (0.37) BCHEACHECNR2HRH2SIGMAR1
SCHEMBL3599919 0.92 CPT1A (0.41) BCHEACHECNR2SIGMAR1LMNA
SCHEMBL3587957 0.92 ACHE (0.34) BCHEACHECNR2SIGMAR1LMNA
SCHEMBL3602660 0.92 LMNA (0.39) BCHEACHECNR2LMNASMN1; SMN2
SCHEMBL3583794 0.91 ALDH1A1 (0.37) BCHEACHECNR2LMNASMN1; SMN2

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 BCHE 3002/4885ACHE 3194/4885CNR2 1364/4885

“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.