SCHEMBL2888901

SCHEMBL2888901

CC(C)OC(=O)N1CC=C(c2cn(-c3ccccc3F)nn2)CC1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 17/20 0.78
GRM5 P41594 14/20 0.78
NOTUM Q6P988 1/20 0.40
HRH1 P35367 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
WDR5 P61964 1/20 0.38

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
SCHEMBL2892722 0.91 GRM1 (0.71) GRM1GRM5NOTUMHRH1TMEM97
SCHEMBL2890555 0.88 GRM1 (1.00) GRM1GRM5HRH1TMEM97
SCHEMBL12975497 0.86 GRM1 (1.00) GRM1GRM5
SCHEMBL2889303 0.86 GRM1 (0.74) GRM1GRM5
SCHEMBL2885105 0.84 GRM1 (0.73) GRM1GRM5NOTUM
SCHEMBL2891201 0.84 GRM1 (0.69) GRM1GRM5HRH1TMEM97
SCHEMBL2891308 0.83 GRM1 (0.70) GRM1GRM5NOTUM
SCHEMBL2892907 0.82 GRM1 (0.69) GRM1GRM5NOTUM
SCHEMBL5492259 0.82 GRM1 (0.72) GRM1GRM5NOTUMHRH1TMEM97
SCHEMBL2890765 0.80 GRM1 (1.00) GRM1GRM5NOTUM

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 26/4885NOTUM 3935/4885

“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.