SCHEMBL3589109

SCHEMBL3589109

CCOC(=O)CCc1cc(OC)c(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc(C(=O)OCc5ccccc5)ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
BCHE P06276 4/20 0.34
ACHE P22303 4/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSD P07339 1/20 0.32

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
SCHEMBL3593227 0.95 F2RL3 (0.34) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL3602675 0.94 BCHE (0.35) CNR2BCHEACHETP53MAPT
SCHEMBL3597752 0.93 OPRK1 (0.37) CNR2BCHEACHETP53MAPT
SCHEMBL3600985 0.92 BCHE (0.33) CNR2BCHEACHETP53MAPT
SCHEMBL3583220 0.90 EPHX2 (0.37) BCHEACHEMAPTLMNAOPRM1
SCHEMBL3598870 0.90 CPT1A (0.39) CNR2BCHEACHELMNASMN1; SMN2
SCHEMBL3599714 0.90 BCHE (0.33) CNR2BCHEACHETP53MAPT
SCHEMBL3597321 0.89 ALDH1A1 (0.35) BCHEACHEMAPTKMT2ALMNA
SCHEMBL3590798 0.88 USP14 (0.34) BCHEACHEKMT2ASIGMAR1
SCHEMBL13254254 0.88 BCHE (0.34) CNR2BCHEACHECACNA1FCACNA1D

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 4 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

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

“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.