SCHEMBL658988

SCHEMBL658988

COc1ccc(C2CN(c3c(C)c(C)c4c(c3C)C(=O)C(C)(C)O4)CCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.41
CYP2D6 P10635 2/20 0.41
PDE10A Q9Y233 4/20 0.36
PRCP P42785 1/20 0.34
IDH1 O75874 1/20 0.34
ACHE P22303 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL658370 0.82 HTR7 (0.34) ACHEALDH1A1
SCHEMBL658973 0.82 GSK3B (0.43) GSK3BCYP2D6PDE10APRCPIDH1
SCHEMBL657306 0.80 CYP2D6 (0.39) GSK3BCYP2D6PDE10APRCPIDH1
SCHEMBL658666 0.79 ALDH1A1 (0.44) ALDH1A1
SCHEMBL1727278 0.78 CYP2D6 (0.38) GSK3BCYP2D6PDE10APRCPIDH1
SCHEMBL659546 0.76 ALDH1A1 (0.42) ALDH1A1
SCHEMBL2470599 0.73 QDPR (0.39)
SCHEMBL660814 0.72 PDE4A (0.36) ALDH1A1
SCHEMBL657136 0.71 ALDH1A1 (0.41) ALDH1A1
SCHEMBL660281 0.71 GSK3B (0.40) GSK3BCYP2D6PDE10APRCPIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 EP disclosed
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 EP disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US 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 (4 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-20120232096-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 GSK3B 4823/4885CYP2D6 295/4885PDE10A 4375/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 GSK3B 4823/4885CYP2D6 295/4885PDE10A 4375/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 GSK3B 4823/4885CYP2D6 295/4885PDE10A 4375/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 GSK3B 4780/4885CYP2D6 865/4885PDE10A 4331/4885

“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.