SCHEMBL10312986

SCHEMBL10312986

O=C(C1CC1)N1CCc2ncc(OCc3cccc(F)c3)cc2C1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.46
MAOB P27338 7/20 0.45
MAOA P21397 6/20 0.45
F10 P00742 2/20 0.44
FAAH O00519 1/20 0.44
ALKBH1 Q13686 1/20 0.43
F2 P00734 1/20 0.43
ELANE P08246 1/20 0.43
MMP1 P03956 1/20 0.43
ADAM17 P78536 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
SCHEMBL10312989 0.86 GRM5 (0.56) MAOB
SCHEMBL10312987 0.84 HPGDS (0.49)
SCHEMBL10313047 0.75 PTGS1 (0.51)
SCHEMBL10277389 0.74 GRM5 (0.64)
SCHEMBL29097908 0.73 NR4A2 (0.53) MAOBMAOA
SCHEMBL10312996 0.72 GRM5 (0.56)
SCHEMBL5565059 0.70 NPC1 (0.56) MAOBMAOA
SCHEMBL30924650 0.70 MAOB (0.48) MAOBMAOA
SCHEMBL27229643 0.70 MAOB (0.48) MAOBMAOA
SCHEMBL30408225 0.70 HPGDS (0.50)

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
WO-2012097182-A1 DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS VANDERBILT UNIVERSITY (US) 2012-07-19 WO disclosed
US-20120178776-A1 DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-07-12 US disclosed
US-20120178776-A1 DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-07-12 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-20120178776-A1 DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS GRM5, GRIK5, GRM3 CHRM4 205/4885MAOB 4030/4885MAOA 4114/4885

“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.