SCHEMBL6885909

SCHEMBL6885909

CN1CCCN(Cc2ccc(-c3ccccc3)cn2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.43
PRMT5 O14744 10/20 0.42
PORCN Q9H237 1/20 0.42
PER2 O15055 1/20 0.39
GRM2 Q14416 1/20 0.38
ACHE P22303 1/20 0.38
CHRM5 P08912 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 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
SCHEMBL6885814 0.92 PRMT5 (0.46) ENPP2PRMT5PORCNGRM2CHRM5
SCHEMBL1642524 0.82 GRM5 (0.52)
SCHEMBL31068250 0.80 PDE2A (0.38) PRMT5PER2GRM2
SCHEMBL29348964 0.80 PDE2A (0.38) PRMT5PER2GRM2
SCHEMBL6886663 0.79 L3MBTL1 (0.55) ENPP2PRMT5PORCNACHE
SCHEMBL6884928 0.78 ROCK2 (0.46) ENPP2PRMT5
SCHEMBL6885751 0.77 GRIN1 (0.47) ENPP2PORCNGRM2ACHECHRM5
SCHEMBL1643046 0.74 GRM5 (0.48)
SCHEMBL6886805 0.74 GRM2 (0.43) ENPP2PRMT5PER2GRM2ACHE
SCHEMBL13504002 0.74 L3MBTL1 (0.54) PER2ACHE

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 2 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
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 ENPP2 1537/4885PRMT5 172/4885PORCN 1373/4885

“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.