SCHEMBL10249995

SCHEMBL10249995

Cc1cccc(N2CCc3nc(-c4cc(C)ccn4)oc3C2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.60
PDGFRB P09619 2/20 0.39
KDR P35968 2/20 0.39
PHGDH O43175 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38

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
SCHEMBL10249974 0.91 GRM5 (0.73) GRM5
SCHEMBL504669 0.89 GRM5 (0.79) GRM5PHGDH
SCHEMBL10250329 0.87 GRM5 (0.56) GRM5PDGFRBKDR
SCHEMBL10250406 0.85 GRM5 (0.64) GRM5
SCHEMBL10250129 0.84 GRM5 (0.50) GRM5PDGFRBKDR
SCHEMBL10250136 0.84 GRM5 (0.52) GRM5
SCHEMBL10249999 0.82 GRM5 (0.77) GRM5
SCHEMBL10250266 0.81 GRM5 (0.48) GRM5PDGFRBKDR
SCHEMBL10250260 0.81 GRM5 (0.49) GRM5PDGFRBKDR
SCHEMBL10250035 0.81 GRM5 (0.58) GRM5PDGFRBKDR

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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 GRM5 1/4885PDGFRB 2900/4885KDR 3405/4885

“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.