SCHEMBL10314869

SCHEMBL10314869

O=C1CCCc2cc(COc3ccccc3)cnc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.53
MAOB P27338 11/20 0.53
HPD P32754 1/20 0.47
CYP11B2 P19099 1/20 0.44
GRM5 P41594 2/20 0.44
CYP1A2 P05177 1/20 0.44
RXRB P28702 1/20 0.44

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
SCHEMBL14212063 0.86 MAOA (0.64) MAOAMAOBHPD
SCHEMBL10314931 0.79 GRM5 (0.48) MAOAMAOBCYP11B2GRM5
SCHEMBL10314871 0.77 GRM5 (0.53) CYP11B2GRM5CYP1A2
SCHEMBL10286601 0.75 CYP11B2 (0.37) MAOAMAOBCYP11B2
SCHEMBL10314897 0.74 HPD (0.53) MAOAMAOBHPD
SCHEMBL10314870 0.72 GRM5 (0.56) GRM5
SCHEMBL10009266 0.72 GRM5 (0.56) GRM5
SCHEMBL10314885 0.71 GRM5 (0.44) CYP11B2GRM5CYP1A2
SCHEMBL10271350 0.70 MAOA (0.49) MAOAMAOBCYP11B2
SCHEMBL226640 0.69 MAOB (1.00) MAOAMAOBGRM5

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-8853237-B2 Naphthyridinone analogs as mGluR5 positive allosteric modulators VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
US-20120172391-A1 NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-07-05 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-20120172391-A1 NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS GRM5, GRIK5, GRM1 MAOA 3688/4885MAOB 3685/4885HPD 3202/4885

“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.