SCHEMBL3593227

SCHEMBL3593227

CCOC(=O)CCc1cc(OC)c(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4ccc(C(=O)OCc5ccccc5)cc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.34
BCHE P06276 4/20 0.34
ACHE P22303 4/20 0.34
CACNA1F O60840 2/20 0.34
CACNA1D Q01668 2/20 0.34
CACNA1S Q13698 2/20 0.34
CACNA1C Q13936 2/20 0.34
KMT2A Q03164 1/20 0.33
OPRM1 P35372 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.32
OPRD1 P41143 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ALOX5 P09917 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3589109 0.95 CNR2 (0.36) F2RL3BCHEACHECACNA1FCACNA1D
SCHEMBL3602675 0.89 BCHE (0.35) BCHEACHEKMT2ATP53MAPT
SCHEMBL3597752 0.88 OPRK1 (0.37) BCHEACHEOPRM1OPRK1TP53
SCHEMBL3588123 0.87 CYSLTR2 (0.39) BCHEACHEKMT2ALMNASIGMAR1
SCHEMBL3600985 0.87 BCHE (0.33) BCHEACHEKMT2ATP53MAPT
SCHEMBL13254254 0.86 BCHE (0.34) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL3583220 0.85 EPHX2 (0.37) BCHEACHEOPRM1MAPTLMNA
SCHEMBL3599714 0.85 BCHE (0.33) BCHEACHEKMT2ATP53MAPT
SCHEMBL3598870 0.85 CPT1A (0.39) BCHEACHELMNASMN1; SMN2
SCHEMBL3590798 0.85 USP14 (0.34) BCHEACHEKMT2ASIGMAR1

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 F2RL3 555/4885BCHE 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.