SCHEMBL10312989

SCHEMBL10312989

O=C(c1cccc(F)c1)N1CCc2ncc(OCc3cccc(F)c3)cc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.56
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NR4A2 P43354 1/20 0.47
KDR P35968 1/20 0.46
MAOB P27338 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL10312986 0.86 CHRM4 (0.46) MAOB
SCHEMBL10313047 0.86 PTGS1 (0.51) GRM5ALDH1A1HPGDKDR
SCHEMBL10312987 0.84 HPGDS (0.49)
SCHEMBL10277389 0.82 GRM5 (0.64) GRM5
SCHEMBL10312996 0.79 GRM5 (0.56) GRM5ALDH1A1
SCHEMBL10277477 0.78 GRM5 (0.59) GRM5
SCHEMBL10313097 0.77 PTGS1 (0.51) GRM5ALDH1A1KDR
SCHEMBL10277236 0.77 GRM5 (0.56) GRM5
SCHEMBL10312988 0.74 GRM5 (0.55) GRM5HPGDSMN1; SMN2
SCHEMBL29097908 0.73 NR4A2 (0.53) HPGDSMN1; SMN2NR4A2MAOB

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 GRM5 1/4885ALDH1A1 4339/4885HPGD 1946/4885

“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.