SCHEMBL2893158

SCHEMBL2893158

Cc1c(C2=CCN(C(=O)OC(C)(C)C)CC2)nnn1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 14/20 0.69
GRM5 P41594 13/20 0.69
PDK4 Q16654 1/20 0.51
TNK2 Q07912 1/20 0.49
NAMPT P43490 1/20 0.48
HTR6 P50406 1/20 0.47
PDE10A Q9Y233 1/20 0.46
HRH1 P35367 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46

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
SCHEMBL2885501 0.89 GRM1 (0.69) GRM1GRM5HRH1TMEM97
SCHEMBL27007980 0.88 GRM1 (0.61) GRM1GRM5PDK4TNK2NAMPT
SCHEMBL2893091 0.87 GRM1 (0.61) GRM1GRM5PDK4TNK2NAMPT
SCHEMBL2885954 0.86 GRM1 (0.75) GRM1GRM5PDK4NAMPTPDE10A
SCHEMBL12975512 0.86 GRM1 (0.65) GRM1GRM5PDK4NAMPTPDE10A
SCHEMBL27008002 0.86 GRM1 (0.57) GRM1GRM5PDK4TNK2NAMPT
SCHEMBL2891852 0.86 GRM1 (0.51) GRM1GRM5HRH1TMEM97
SCHEMBL2885002 0.85 GRM1 (0.69) GRM1GRM5PDK4HRH1TMEM97
SCHEMBL2885508 0.82 GRM1 (0.72) GRM1GRM5TNK2PDE10AHRH1
SCHEMBL2891637 0.82 GRM1 (0.77) GRM1GRM5PDK4HRH1TMEM97

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.