SCHEMBL2890541

SCHEMBL2890541

CC(C)(C)OC(=O)N1CC=C(c2cn(C(=O)OC(C)(C)C)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.57
GRM5 P41594 11/20 0.57
PDK4 Q16654 1/20 0.49
CYP11B2 P19099 1/20 0.46
NAMPT P43490 1/20 0.46
HTR6 P50406 1/20 0.45
WNT3A P56704 1/20 0.45
JAK1 P23458 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44

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
SCHEMBL27666690 0.93 GRM1 (0.53) GRM1GRM5PDK4CYP11B2NAMPT
SCHEMBL18865887 0.88 GRM1 (0.57) GRM1GRM5PDK4CYP11B2NAMPT
SCHEMBL3692388 0.81 GRM1 (0.51) GRM1GRM5PDK4CYP11B2NAMPT
SCHEMBL15024195 0.81 GRM1 (0.60) GRM1GRM5PDK4NAMPTWNT3A
SCHEMBL18409265 0.80 GRM1 (0.52) GRM1GRM5PDK4CYP11B2NAMPT
SCHEMBL15001502 0.80 GRM1 (0.53) GRM1GRM5PDK4CYP11B2NAMPT
SCHEMBL18113675 0.79 GRM1 (0.53) GRM1GRM5PDK4CYP11B2NAMPT
SCHEMBL2893247 0.79 GRM1 (0.70) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL19355528 0.79 GRM1 (0.53) GRM1GRM5PDK4CYP11B2NAMPT
SCHEMBL22777889 0.79 GRM1 (0.53) GRM1GRM5PDK4CYP11B2NAMPT

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 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.