SCHEMBL6885751

SCHEMBL6885751

O=C1OCCCN1Cc1ccc(-c2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 9/20 0.47
GRIN2B Q13224 9/20 0.47
GRM2 Q14416 2/20 0.41
FAAH O00519 1/20 0.40
NAAA Q02083 1/20 0.40
ENPP2 Q13822 2/20 0.39
PIK3CD O00329 1/20 0.38
ACHE P22303 1/20 0.38
CHRM5 P08912 1/20 0.38
PORCN Q9H237 1/20 0.38
SRC P12931 1/20 0.37

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
SCHEMBL6888436 0.92 FAAH (0.45) GRIN1GRIN2BGRM2FAAHNAAA
SCHEMBL1644490 0.81 FFAR1 (0.45) GRM2
SCHEMBL31068302 0.80 GRIN1 (0.43) GRIN1GRIN2BGRM2PIK3CD
SCHEMBL29348962 0.80 GRIN1 (0.43) GRIN1GRIN2BGRM2PIK3CD
SCHEMBL6886663 0.79 L3MBTL1 (0.55) ENPP2ACHEPORCN
SCHEMBL6885909 0.77 ENPP2 (0.43) GRIN1GRIN2BGRM2ENPP2ACHE
SCHEMBL6886132 0.77 ENPP2 (0.41) GRM2ENPP2CHRM5SRC
SCHEMBL6885194 0.76 IL4I1 (0.53) GRIN1GRIN2BGRM2FAAHNAAA
SCHEMBL9016265 0.74 GRM2 (0.56) GRM2FAAHNAAAPIK3CD
SCHEMBL6885814 0.74 PRMT5 (0.46) GRM2ENPP2CHRM5PORCN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
WO-2011051201-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. HOFFMANN-LA ROCHE AG (CH) 2011-05-05 WO disclosed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 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-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 GRIN1 8/4885GRIN2B 21/4885GRM2 3/4885

“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.