SCHEMBL2889357

SCHEMBL2889357

CCCOC(=O)N1CC=C(c2cn(-c3ccc(F)cc3)nn2)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 13/20 0.72
GRM5 P41594 11/20 0.72
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
DDX3X O00571 1/20 0.38
ENPP2 Q13822 1/20 0.37
MIF P14174 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL2890478 0.87 GRM1 (0.71) GRM1GRM5PTGS1PTGS2DDX3X
SCHEMBL2892824 0.84 GRM1 (1.00) GRM1GRM5ENPP2
SCHEMBL2891168 0.82 GRM1 (0.72) GRM1GRM5PTGS1PTGS2
SCHEMBL8614176 0.73 GRM1 (1.00) GRM1GRM5
SCHEMBL2889303 0.73 GRM1 (0.74) GRM1GRM5
SCHEMBL2893810 0.73 GRM1 (1.00) GRM1GRM5
SCHEMBL2891855 0.73 GRM1 (1.00) GRM1GRM5
SCHEMBL2888969 0.72 GRM1 (0.72) GRM1GRM5
SCHEMBL27007743 0.71 GRM1 (0.78) GRM1GRM5ENPP2
SCHEMBL2893490 0.71 GRM1 (0.62) GRM1GRM5FAAHMGLL

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
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP 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 26/4885PTGS1 112/4885

“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.