SCHEMBL10277556

SCHEMBL10277556

c1ccc(OCc2ccc3c(n2)CNCC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
HTR2C P28335 5/20 0.48
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
GRM5 P41594 1/20 0.42
CD274 Q9NZQ7 1/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
MAPT P10636 1/20 0.38
PNMT P11086 1/20 0.38
CD44 P16070 1/20 0.38
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR3A P46098 1/20 0.37
HTR6 P50406 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36

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
SCHEMBL30474149 0.75 HTR2C (0.48) HTR2CMAOBPNMTCD44
SCHEMBL10313038 0.75 HTR2C (0.48) HTR2CGRM5CHRM4CHRM5CHRM1
SCHEMBL10313015 0.74 HTR2C (0.42) HTR2CMAOBPNMTCD44CHRM4
SCHEMBL23530210 0.74 HTR2C (0.42) HTR2CMAOBPNMTCD44HTR2A
Hydrochloric Acid SCHEMBL30474224 0.74 CHRM4 (0.47) HTR2CGRM5CHRM4CHRM5CHRM1
SCHEMBL158402 0.71 GRM5 (0.45) GRM5MAPTCHRM4CHRM5CHRM1
SCHEMBL19033504 0.71 HTR2C (0.41) HTR2CMAOBPNMTCD44HTR2A
SCHEMBL159293 0.69 GRM5 (0.46) GRM5MAPTCHRM4CHRM5CHRM1
SCHEMBL10313099 0.68 GRM5 (0.49) GRM5
SCHEMBL30199561 0.68 SYK (0.56) CD274MAOBMAOAPNMTCD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710074-B2 Dihydronaphthyridinyl(organo)methanone analogs as positive allosteric mGluR5 modulators VANDERBILT UNIVERSITY (US) 2014-04-29 US disclosed
WO-2012097182-A1 DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS VANDERBILT UNIVERSITY (US) 2012-07-19 WO disclosed
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 KCNH2 905/4885HTR2C 91/4885CYSLTR2 2582/4885

“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.