SCHEMBL2890984

SCHEMBL2890984

CN(C(=O)N1CC=C(c2cn(-c3ccccc3)nn2)CC1)C(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 15/20 0.70
GRM5 P41594 12/20 0.70
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HRH1 P35367 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL5492259 0.86 GRM1 (0.72) GRM1GRM5HRH1TMEM97
SCHEMBL2888969 0.83 GRM1 (0.72) GRM1GRM5DRD2DRD4DRD3
SCHEMBL2891458 0.82 GRM1 (0.75) GRM1GRM5DRD2DRD4DRD3
SCHEMBL8614176 0.82 GRM1 (1.00) GRM1GRM5
SCHEMBL2890987 0.82 GRM1 (0.71) GRM1GRM5DRD2DRD4DRD3
SCHEMBL2889303 0.80 GRM1 (0.74) GRM1GRM5DRD2DRD4DRD3
SCHEMBL2893240 0.74 GRM1 (0.71) GRM1GRM5DRD2DRD4DRD3
SCHEMBL2891168 0.73 GRM1 (0.72) GRM1GRM5NPC1ALDH1A1HPGD
SCHEMBL2893262 0.73 GRM1 (0.73) GRM1GRM5DRD2DRD4DRD3
SCHEMBL2891855 0.73 GRM1 (1.00) GRM1GRM5

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 8 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-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
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
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 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
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 26/4885DRD2 47/4885

“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.