SCHEMBL10501603

SCHEMBL10501603

CC1COC(c2ccccc2)(c2ccccc2)O1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
ADRA1A P35348 9/20 0.43
ADRA1B P35368 7/20 0.43
HTR1A P08908 6/20 0.43
ADRA1D P25100 5/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9792617 0.86 GAA (0.41) GRIN1GRIN2AADRA1AADRA1BHTR1A
SCHEMBL11696440 0.84 GRIN1 (0.40) GRIN1GRIN2AADRA1AADRA1BHTR1A
Iodomethane SCHEMBL9792638 0.83 GAA (0.40) GRIN1GRIN2AADRA1AADRA1BHTR1A
SCHEMBL9792578 0.82 ADRA1A (0.37) GRIN1GRIN2AADRA1AADRA1BHTR1A
SCHEMBL9698509 0.81 ESR2 (0.42) GRIN1GRIN2AADRA1AADRA1B
SCHEMBL750050 0.80 ADRA1A (0.37) GRIN1GRIN2AADRA1AADRA1BHTR1A
SCHEMBL14039677 0.79 GRIN1 (0.45) GRIN1GRIN2AADRA1AADRA1BHTR1A
SCHEMBL10816606 0.79 GRIN1 (0.41) GRIN1GRIN2AADRA1AADRA1BHTR1A
SCHEMBL10875203 0.79 GRIN1 (0.36) GRIN1GRIN2AADRA1AADRA1BHTR1A
SCHEMBL5156026 0.78 CHRNB2 (0.40) ADRA1AADRA1BHTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0194906-B1 HETEROCYCLIC DISSYMMETRIC 1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE FOURNIER INNOVATION ET SYNERGIE (FR) 1989-07-19 EP claimed
WO-2014094961-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
US-8030368-B2 Photoinitiated reactions LINTFIELD LIMITED (GB) 2011-10-04 US disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
US-20070185225-A1 Photoinitiated reactions LINTFIELD LIMITED (GB) 2007-08-09 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 (1 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-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 GRIN1 276/4885GRIN2A 330/4885ADRA1A 112/4885

“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.