SCHEMBL1746466

SCHEMBL1746466

OC1CCc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 10/20 0.61
GRIN2B Q13224 10/20 0.61
USP2 O75604 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
HRH3 Q9Y5N1 4/20 0.53
CA2 P00918 1/20 0.52
CA5A P35218 1/20 0.52
CYP2D6 P10635 2/20 0.51
HRH1 P35367 1/20 0.51

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
SCHEMBL3970687 1.00 GRIN1 (0.61) GRIN1GRIN2BUSP2MAPTMAPK1
SCHEMBL3965085 1.00 GRIN1 (0.61) GRIN1GRIN2BUSP2MAPTMAPK1
SCHEMBL21126509 0.89 GRIN1 (0.58) GRIN1GRIN2BUSP2MAPTMAPK1
SCHEMBL1746574 0.89 HRH3 (0.53) GRIN1GRIN2BHRH3CA2CA5A
SCHEMBL1747190 0.86 GRIN2B (0.52) GRIN1GRIN2B
SCHEMBL1746562 0.84 GRIN2B (0.58) GRIN1GRIN2B
SCHEMBL225845 0.84 GRIN1 (0.52) GRIN1GRIN2BUSP2MAPTMAPK1
SCHEMBL3394842 0.83 GRIN1 (0.54) GRIN1GRIN2BUSP2MAPTMAPK1
SCHEMBL9488808 0.82 LIPG (0.57) GRIN1GRIN2BUSP2MAPTMAPK1
SCHEMBL9621151 0.82 GRIN1 (0.50) GRIN1GRIN2BUSP2MAPTMAPK1

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
EP-3144312-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie B.V. (NL) 2017-03-22 EP disclosed
EP-2590955-B9 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2017-02-22 EP disclosed
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-8008525-B2 For the 14273 peroxisome proliferator activated receptor; antidiabetic agents, hyperlipidemia, obesity or anorexia; receptor binding assay; drug screening kits TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-30 US disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
US-20080167378-A1 Receptor Function Regulation Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
EP-1688138-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2006-08-09 EP disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP 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 (2 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-20080167378-A1 Receptor Function Regulation Agent GPR119, INSR, GPR88 GRIN1 910/4885GRIN2B 1350/4885USP2 2093/4885
US-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR GRIN1 829/4885GRIN2B 1276/4885USP2 3281/4885

“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.