SCHEMBL657987

SCHEMBL657987

COc1c(C)c(N2CCN(c3ccc4c(c3)OCCO4)CC2)c(C)c2c1OC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.40
DRD3 P35462 5/20 0.40
DRD4 P21917 4/20 0.40
MAPT P10636 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HTR1A P08908 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
HTT P42858 2/20 0.34

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
SCHEMBL659715 0.87 ACACB (0.34) DRD2DRD3DRD4TGFBR1ACVR1
SCHEMBL656772 0.84 AKR1C3 (0.36) DRD2DRD3MAPTALDH1A1GAA
SCHEMBL660132 0.83 DRD2 (0.44) DRD2MAPTMEN1KMT2AL3MBTL1
SCHEMBL658984 0.82 LMNA (0.39) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL658763 0.80 GAA (0.38) DRD2MAPTMEN1KMT2AALDH1A1
SCHEMBL659448 0.79 AKR1C3 (0.38) MAPTHTR1AHTT
SCHEMBL659117 0.78 ALDH1A1 (0.40) DRD2MAPTMEN1KMT2AL3MBTL1
SCHEMBL659176 0.78 KCNA5 (0.36) DRD2MAPTMEN1KMT2AL3MBTL1
SCHEMBL660752 0.78 DRD2 (0.34) DRD2MAPTMEN1KMT2AL3MBTL1
SCHEMBL659593 0.75 HTR7 (0.37) MAPTMEN1KMT2AALDH1A1GAA

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 21 patents — showing the first 20. 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
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
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-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-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20120232095-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-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232096-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-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 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
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 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 DRD2 50/4885DRD3 108/4885DRD4 49/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 DRD2 50/4885DRD3 108/4885DRD4 49/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 DRD2 50/4885DRD3 108/4885DRD4 49/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 DRD2 80/4885DRD3 71/4885DRD4 47/4885

“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.