SCHEMBL3600425

SCHEMBL3600425

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.39
ACHE P22303 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 1/20 0.36
CNR2 P34972 1/20 0.35
CHEK2 O96017 1/20 0.35
DRD2 P14416 1/20 0.35
HTR6 P50406 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
OPRM1 P35372 2/20 0.34
KCNH2 Q12809 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL3599436 0.95 BCHE (0.37) ACHELMNASMN1; SMN2BCHECNR2
SCHEMBL3597752 0.93 OPRK1 (0.37) OPRK1ACHELMNASMN1; SMN2BCHE
SCHEMBL3592305 0.92 ACHE (0.36) ACHELMNASMN1; SMN2BCHECNR2
SCHEMBL3581750 0.92 ACHE (0.35) ACHELMNASMN1; SMN2BCHECNR2
SCHEMBL3590608 0.91 ACHE (0.37) ACHEBCHECNR2DRD2SIGMAR1
SCHEMBL3602660 0.91 LMNA (0.39) ACHELMNASMN1; SMN2BCHECNR2
SCHEMBL3599919 0.91 CPT1A (0.41) ACHELMNASMN1; SMN2BCHECNR2
SCHEMBL3587957 0.91 ACHE (0.34) ACHELMNASMN1; SMN2BCHECNR2
SCHEMBL3583794 0.90 ALDH1A1 (0.37) ACHELMNASMN1; SMN2BCHECNR2
SCHEMBL3588123 0.89 CYSLTR2 (0.39) ACHELMNASMN1; SMN2BCHESIGMAR1

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 OPRK1 598/4885ACHE 3194/4885LMNA 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.