SCHEMBL2893091

SCHEMBL2893091

CCOc1c(C2=CCN(C(=O)OC(C)(C)C)CC2)nnn1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 12/20 0.61
GRM5 P41594 12/20 0.61
PDK4 Q16654 1/20 0.48
HTR6 P50406 1/20 0.47
TNK2 Q07912 2/20 0.47
PDE10A Q9Y233 1/20 0.46
NAMPT P43490 1/20 0.46
GPR119 Q8TDV5 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
SCHEMBL2892933 0.88 GRM1 (0.44) GRM1GRM5
SCHEMBL2893158 0.87 GRM1 (0.69) GRM1GRM5PDK4HTR6TNK2
SCHEMBL3794398 0.78 GRM5 (0.57) GRM1GRM5PDK4TNK2PDE10A
SCHEMBL8613189 0.78 GRM1 (0.62) GRM1GRM5PDK4HTR6TNK2
SCHEMBL20217955 0.77 GRM1 (0.56) GRM1GRM5PDK4HTR6TNK2
SCHEMBL2885501 0.77 GRM1 (0.69) GRM1GRM5GPR119
SCHEMBL27007980 0.77 GRM1 (0.61) GRM1GRM5PDK4TNK2NAMPT
SCHEMBL2239831 0.76 NAMPT (0.66) GRM1GRM5PDK4HTR6TNK2
SCHEMBL23505457 0.76 GRM1 (0.55) GRM1GRM5PDK4HTR6TNK2
SCHEMBL12975512 0.76 GRM1 (0.65) GRM1GRM5PDK4PDE10ANAMPT

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 7 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

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.