SCHEMBL2893523

SCHEMBL2893523

O=C(O)N1CC=C(c2cn(-c3cnccn3)nn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 13/20 0.53
GRM5 P41594 11/20 0.53
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 4/20 0.35
SLC6A7 Q99884 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL2888911 0.84 GRM1 (0.76) GRM1GRM5
SCHEMBL2893262 0.81 GRM1 (0.73) GRM1GRM5ALDH1A1SMN1; SMN2NAMPT
SCHEMBL2893240 0.80 GRM1 (0.71) GRM1GRM5ALDH1A1SMN1; SMN2
SCHEMBL2892949 0.79 GRM1 (0.51) GRM1GRM5ALDH1A1SMN1; SMN2NAMPT
SCHEMBL2888969 0.77 GRM1 (0.72) GRM1GRM5ALDH1A1SMN1; SMN2
SCHEMBL2896111 0.76 GRM1 (0.52) GRM1GRM5ALDH1A1SMN1; SMN2
SCHEMBL2893797 0.75 GRM1 (0.58) GRM1GRM5ALDH1A1SMN1; SMN2
SCHEMBL2892061 0.75 GRM1 (0.74) GRM1GRM5ALDH1A1SMN1; SMN2
SCHEMBL2891168 0.74 GRM1 (0.72) GRM1GRM5ALDH1A1SMN1; SMN2
SCHEMBL2885105 0.73 GRM1 (0.73) GRM1GRM5ALDH1A1SMN1; SMN2

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-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
CN-1980901-A Biaryl derivatives BANYU PHARMA CO LTD (JP) 2007-06-13 CN disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP 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-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B GRM1 1/4885GRM5 26/4885ALDH1A1 712/4885

“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.