SCHEMBL10277623

SCHEMBL10277623

c1ccc(COc2cnc3c(c2)CNCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.47
MCHR1 Q99705 1/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
CHRM2 P08172 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR2A P28223 2/20 0.42
HTR3A P46098 1/20 0.42
HTR6 P50406 1/20 0.42
BTK Q06187 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HTR2B P41595 2/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL20406309 0.80 MAOA (0.55) MAOAMAOBHRH3PDGFRBPDGFRA
SCHEMBL5122382 0.80 MAOA (0.51) MAOAMAOBHRH3PDGFRBPDGFRA
SCHEMBL20406343 0.79 MAOA (0.53) MAOAMAOBHRH3PDGFRBPDGFRA
SCHEMBL3503754 0.79 HRH3 (0.59) MAOAMAOBHRH3CD274
SCHEMBL1020646 0.79 CD274 (0.61) MAOAMAOBHRH3CD274
SCHEMBL29474892 0.79 HRH3 (0.59) MAOAMAOBHRH3CD274
Hydrochloric Acid SCHEMBL30515385 0.78 HRH3 (0.58) MAOAMAOBHRH3CD274
Hydrochloric Acid SCHEMBL29052776 0.78 HRH3 (0.58) MAOAMAOBHRH3CD274
SCHEMBL23762151 0.78 TDP1 (0.47) HTR2C
SCHEMBL23709354 0.77 KCNH2 (0.39) HTR2CMCHR1CYP3A4HTR2ACD274

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 6 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
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 HTR2C 91/4885MCHR1 393/4885CHRM4 205/4885

“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.