SCHEMBL660304

SCHEMBL660304

CCc1c2c(c(C)c(C)c1N1CCN(c3ccc(OC)cc3)CC1)OC(C)(C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
DCTPP1 Q9H773 1/20 0.42
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
AKR1C3 P42330 1/20 0.39
HTR7 P34969 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
BRAF P15056 1/20 0.38
GFER P55789 1/20 0.38
HTR1A P08908 2/20 0.38
POLB P06746 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR3A P46098 1/20 0.36

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
SCHEMBL658597 0.88 DRD2 (0.46) DRD2ALDH1A1GAAHSD17B10HTT
SCHEMBL659005 0.84 DRD2 (0.43) DRD2ALDH1A1GAAHSD17B10HTT
SCHEMBL658322 0.84 ALDH1A1 (0.41) DRD2ALDH1A1GAAHSD17B10HTT
SCHEMBL658823 0.83 ALDH1A1 (0.39) DRD2ALDH1A1GAAHSD17B10HTT
SCHEMBL659519 0.83 HTT (0.41) DRD2ALDH1A1GAAHSD17B10HTT
SCHEMBL659723 0.81 PKM (0.41) DRD2ALDH1A1GAATP53HTT
SCHEMBL660722 0.80 DRD2 (0.43) DRD2ALDH1A1GAAHSD17B10HTT
SCHEMBL658423 0.79 DRD2 (0.45) DRD2ALDH1A1GAADCTPP1HSD17B10
SCHEMBL660201 0.79 DRD2 (0.45) DRD2ALDH1A1GAAHSD17B10HTT
SCHEMBL657781 0.79 DCTPP1 (0.45) DRD2ALDH1A1GAADCTPP1TP53

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 16 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
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-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-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 50/4885ALDH1A1 618/4885GAA 4738/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 DRD2 50/4885ALDH1A1 618/4885GAA 4738/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 DRD2 50/4885ALDH1A1 618/4885GAA 4738/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 DRD2 80/4885ALDH1A1 1010/4885GAA 4790/4885

“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.