SCHEMBL2893976

SCHEMBL2893976

COc1ccccc1-n1cc(C2=CCN(C(=O)O)CC2)nn1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 13/20 0.77
GRM5 P41594 11/20 0.77
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 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
SCHEMBL12975561 0.87 GRM1 (1.00) GRM1GRM5
SCHEMBL27666676 0.86 GRM1 (0.74) GRM1GRM5
SCHEMBL2891696 0.84 GRM1 (0.57) GRM1GRM5
SCHEMBL2885105 0.84 GRM1 (0.73) GRM1GRM5
SCHEMBL2888969 0.82 GRM1 (0.72) GRM1GRM5CA2CA9
SCHEMBL5492261 0.79 GRM1 (0.78) GRM1GRM5
SCHEMBL2892061 0.79 GRM1 (0.74) GRM1GRM5
SCHEMBL2893797 0.79 GRM1 (0.58) GRM1GRM5
SCHEMBL2890987 0.77 GRM1 (0.71) GRM1GRM5
SCHEMBL2891168 0.77 GRM1 (0.72) GRM1GRM5CA2CA5A

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 3 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
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 26/4885CA2 1082/4885

“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.