SCHEMBL2885677

SCHEMBL2885677

CC(C)(C)OC(=O)N1CC=C(c2nnn(-c3ccccc3)n2)CC1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.65
GRM5 P41594 11/20 0.65
PDK4 Q16654 1/20 0.52
NAMPT P43490 1/20 0.48
HTR6 P50406 1/20 0.48
GPR119 Q8TDV5 2/20 0.43
TNK2 Q07912 1/20 0.43
BTK Q06187 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
SCHEMBL2884709 0.84 ABCG2 (0.44) GRM1GRM5
SCHEMBL2239831 0.79 NAMPT (0.66) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL8614176 0.79 GRM1 (1.00) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL2893158 0.78 GRM1 (0.69) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL7470566 0.77 GRM5 (0.60) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL19989639 0.77 NAMPT (0.67) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL8613189 0.77 GRM1 (0.62) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL2893091 0.76 GRM1 (0.61) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL18253161 0.75 NAMPT (0.62) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL26147025 0.74 GRM5 (0.57) GRM1GRM5PDK4NAMPTHTR6

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
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

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 26/4885PDK4 638/4885

“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.