SCHEMBL3597752

SCHEMBL3597752

CCOC(=O)CCc1cc(OC)c(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc(C(N)=O)ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.37
ACHE P22303 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 1/20 0.34
OPRM1 P35372 1/20 0.34
KCNH2 Q12809 1/20 0.34
CNR2 P34972 1/20 0.34
CHEK2 O96017 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
DRD2 P14416 1/20 0.33
HTR6 P50406 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 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
SCHEMBL3602675 0.95 BCHE (0.35) ACHELMNASMN1; SMN2BCHECNR2
SCHEMBL3600425 0.93 OPRK1 (0.39) OPRK1ACHELMNASMN1; SMN2BCHE
SCHEMBL3589109 0.93 CNR2 (0.36) ACHELMNASMN1; SMN2BCHEOPRM1
SCHEMBL3600985 0.93 BCHE (0.33) ACHELMNASMN1; SMN2BCHECNR2
SCHEMBL3599714 0.92 BCHE (0.33) ACHELMNASMN1; SMN2BCHECNR2
SCHEMBL3598870 0.92 CPT1A (0.39) ACHELMNASMN1; SMN2BCHECNR2
SCHEMBL3583220 0.92 EPHX2 (0.37) ACHELMNASMN1; SMN2BCHEOPRM1
SCHEMBL3597321 0.90 ALDH1A1 (0.35) ACHEGAALMNASMN1; SMN2BCHE
SCHEMBL3590798 0.89 USP14 (0.34) ACHEBCHESIGMAR1
SCHEMBL13254254 0.89 BCHE (0.34) ACHEBCHECNR2SIGMAR1

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 OPRK1 598/4885ACHE 3194/4885GAA 4756/4885

“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.