SCHEMBL2893138

SCHEMBL2893138

CC#CC1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.63
PDK4 Q16654 1/20 0.46
GRM1 Q13255 9/20 0.46
ESR2 Q92731 1/20 0.45
NR1H2 P55055 1/20 0.44
NAMPT P43490 1/20 0.43
HTR6 P50406 1/20 0.40
JAK1 P23458 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL20001581 0.85 GRM5 (0.60) GRM5PDK4GRM1ESR2NR1H2
SCHEMBL3348910 0.85 GRM5 (0.66) GRM5PDK4GRM1ESR2NAMPT
SCHEMBL2893109 0.84 GRM5 (0.58) GRM5PDK4GRM1ESR2NR1H2
SCHEMBL2891556 0.84 GRM5 (0.58) GRM5PDK4GRM1ESR2NR1H2
SCHEMBL743098 0.84 GRM5 (0.58) GRM5PDK4GRM1ESR2NR1H2
SCHEMBL15991177 0.84 GRM5 (0.58) GRM5PDK4GRM1ESR2NAMPT
SCHEMBL14995149 0.83 GRM5 (0.70) GRM5PDK4GRM1ESR2NAMPT
SCHEMBL19989696 0.82 GRM5 (0.69) GRM5PDK4GRM1ESR2NAMPT
SCHEMBL941018 0.81 GRM5 (0.61) GRM5PDK4GRM1ESR2NAMPT
SCHEMBL2891661 0.80 GRM5 (0.44) GRM5PDK4GRM1

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 GRM5 26/4885PDK4 638/4885GRM1 1/4885

“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.