SCHEMBL661002

SCHEMBL661002

Cc1c(C)c(N2CCCNCC2)c(C)c2c1OC(C)(C)C2=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
CCR4 P51679 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL658236 0.95 CCR4 (0.35) CCR4ALDH1A1
SCHEMBL659546 0.73 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL2471703 0.72 CCR4 (0.42) CCR4SMN1; SMN2ALDH1A1
SCHEMBL658666 0.71 ALDH1A1 (0.44) DRD2SMN1; SMN2ALDH1A1
SCHEMBL661151 0.68 PIK3CA (0.35) SMN1; SMN2ALDH1A1
SCHEMBL658001 0.67 HSP90AA1 (0.42) CCR4ALDH1A1
Hydrochloric Acid SCHEMBL658607 0.66 HSP90AA1 (0.43) CCR4ALDH1A1
SCHEMBL5349075 0.64 ALDH1A1 (0.41) ALDH1A1
SCHEMBL5347339 0.63 ALDH1A1 (0.40) ALDH1A1
SCHEMBL2473349 0.60

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 10 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
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 DRD2 50/4885DRD3 108/4885CCR4 2969/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 DRD2 50/4885DRD3 108/4885CCR4 2969/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 DRD2 50/4885DRD3 108/4885CCR4 2969/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 DRD2 80/4885DRD3 71/4885CCR4 1600/4885

“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.