SCHEMBL10312985

SCHEMBL10312985

Cc1ccc(C(=O)N2CCc3ncc(COc4ccccc4)cc3C2)cc1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.48
FFAR1 O14842 1/20 0.47
GRM5 P41594 4/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
SLC6A7 Q99884 1/20 0.44
PTGS1 P23219 1/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL10313097 0.93 PTGS1 (0.51) FFAR1GRM5SLC6A7PTGS1ALDH1A1
SCHEMBL10312988 0.90 GRM5 (0.55) GRM5HPGDNPC1
SCHEMBL10277236 0.90 GRM5 (0.56) GRM5
SCHEMBL10312996 0.90 GRM5 (0.56) GRM5ALDH1A1
SCHEMBL10277477 0.85 GRM5 (0.59) GRM5
SCHEMBL10277389 0.82 GRM5 (0.64) GRM5
SCHEMBL10313047 0.82 PTGS1 (0.51) FFAR1GRM5SLC6A7PTGS1HPGD
SCHEMBL10462553 0.81 ESR2 (0.49) GRM5MAPT
SCHEMBL10312990 0.81 PTGS1 (0.54) GRM5MAPTPTGS1HPGDALDH1A1
SCHEMBL10312997 0.80 PTGS1 (0.55) GRM5PTGS1LMNAHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KCNA5 164/4885FFAR1 477/4885GRM5 1/4885

“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.