SCHEMBL658173

SCHEMBL658173

COc1ccc(C2CNCCN2C)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.46
ALDH1A1 P00352 2/20 0.44
PDE4A P27815 5/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
NR3C1 P04150 1/20 0.42
HTR2C P28335 3/20 0.42
HTR2A P28223 2/20 0.42
HTR2B P41595 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL14662341 0.84 HTR2A (0.37) PDE4BHTR2CHTR2AHTR2B
SCHEMBL5240098 0.82 PDE4B (0.43) PDE4BALDH1A1PDE4APDE4CPDE4D
SCHEMBL659344 0.80 MAOA (0.49) HTR2CHTR2AHTR2B
SCHEMBL4709152 0.76 PDE4B (0.46) PDE4BALDH1A1PDE4APDE4CPDE4D
SCHEMBL8775410 0.76 SLC6A2 (0.49) HTR2CHTR2AHTR2B
SCHEMBL5333427 0.76 TAAR1 (0.32)
SCHEMBL5184532 0.75 SMN1; SMN2 (0.44) ALDH1A1L3MBTL1
SCHEMBL6026785 0.74 ADRB1 (0.43) HTR2C
SCHEMBL5734703 0.74 KDM4E (0.41) HTR2CHTR2B
SCHEMBL3279337 0.73 CHRNB2 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965147-B Benzofuran derivatives 武田药品工业株式会社 2016-08-24 CN 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
CN-103965147-A Benzofuran derivatives TAKEDA PHARMACEUTICAL 2014-08-06 CN disclosed
CN-102421767-B Benzofuran derivatives TAKEDA PHARMACEUTICAL 2014-06-18 CN 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
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO 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 PDE4B 4182/4885ALDH1A1 618/4885PDE4A 4206/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 PDE4B 4182/4885ALDH1A1 618/4885PDE4A 4206/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 PDE4B 4182/4885ALDH1A1 618/4885PDE4A 4206/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 PDE4B 4326/4885ALDH1A1 1010/4885PDE4A 4098/4885

“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.