SCHEMBL657346

SCHEMBL657346

Cc1c(C)c(N2CCOC(Cc3ccccc3)C2)c(C)c2c1OC(C)(C)C2=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
DRD4 P21917 2/20 0.33
MET P08581 1/20 0.33
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
PRTN3 P24158 1/20 0.32
ATM Q13315 11/20 0.32
PIK3C3 Q8NEB9 3/20 0.32
PRKDC P78527 1/20 0.32
ATR Q13535 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL659726 0.80 DRD4 (0.34) GRM2DRD4METATM
SCHEMBL2471599 0.78 DRD4 (0.42) DRD4ELANECTSGPRTN3TMEM97
SCHEMBL2469911 0.76 GFER (0.40)
SCHEMBL658988 0.74 GSK3B (0.41)
SCHEMBL660140 0.69 AKR1C3 (0.38) DRD4
SCHEMBL2471782 0.68 MAPT (0.46) SIGMAR1
SCHEMBL658236 0.68 CCR4 (0.35)
SCHEMBL9228792 0.65 SLC6A2 (0.50) GRM2DRD4
SCHEMBL19049073 0.65 CYP2C9 (0.45) DRD4TMEM97SIGMAR1
SCHEMBL2474227 0.65 AKR1C3 (0.40) DRD4

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-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-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
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO 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 GRM2 1126/4885DRD4 49/4885MET 282/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 GRM2 1126/4885DRD4 49/4885MET 282/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 GRM2 1126/4885DRD4 49/4885MET 282/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 GRM2 1626/4885DRD4 47/4885MET 529/4885

“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.