SCHEMBL5098233

SCHEMBL5098233

CN1CCN(Cc2cc(-c3ccc4c(c3)CCO4)nn(CCCc3ccc(Cl)cc3)c2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
MCHR1 Q99705 1/20 0.38
P2RX3 P56373 3/20 0.36
INSR P06213 3/20 0.36
ALK Q9UM73 3/20 0.36
ABL1 P00519 2/20 0.36
NPM1 P06748 2/20 0.36
BCR P11274 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TNIK Q9UKE5 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CXCR3 P49682 1/20 0.35
PTGDR Q13258 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHKA P35790 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5098172 0.92 GSK3B (0.41) GSK3BMCHR1P2RX3INSRALK
SCHEMBL5108445 0.88 GSK3B (0.41) GSK3BALDH1A1CXCR3KDM4EKMT2A
Hydrochloric Acid SCHEMBL5098086 0.88 GSK3B (0.40) GSK3BALDH1A1CXCR3KDM4EKMT2A
SCHEMBL5094854 0.87 GSK3B (0.41) GSK3BP2RX3ALDH1A1PDE4APDE4B
SCHEMBL5095022 0.87 GSK3B (0.41) GSK3BP2RX3PDE4APDE4BPDE4C
SCHEMBL5095099 0.84 CNR2 (0.43) TNIKCXCR3CHRM5CHRM1MEN1
Hydrochloric Acid SCHEMBL5102076 0.84 CNR2 (0.43) TNIKCXCR3CHRM5CHRM1MEN1
SCHEMBL5101761 0.84 GPR183 (0.38) GSK3BMCHR1ALDH1A1KDM4ETSHR
SCHEMBL5108095 0.84 GSK3B (0.37) GSK3BP2RX3PDE4APDE4BPDE4C
SCHEMBL5101764 0.84 GPR183 (0.38) GSK3BMCHR1ALDH1A1KDM4ETSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314877-B2 Benzofuran derivative KOWA CO., LTD. (JP) 2008-01-01 US claimed
US-20060189621-A1 Benzofuran derivative KOWA CO., LTD. (JP) 2006-08-24 US claimed
EP-1602655-A1 BENZOFURAN DERIVATIVE Kowa Co., Ltd. (JP) 2005-12-07 EP claimed
US-7314877-B2 Benzofuran derivative KOWA CO., LTD. (JP) 2008-01-01 US disclosed
US-20060189621-A1 Benzofuran derivative KOWA CO., LTD. (JP) 2006-08-24 US disclosed
EP-1602655-A1 BENZOFURAN DERIVATIVE Kowa Co., Ltd. (JP) 2005-12-07 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-20060189621-A1 Benzofuran derivative TNF, TNFRSF1A, RELA GSK3B 3567/4885MCHR1 3485/4885P2RX3 1092/4885

“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.