SCHEMBL2885377

SCHEMBL2885377

Cc1c(C2=CCN(C(=O)OC(C)C)CC2)nnn1-c1cccnc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 17/20 1.00
GRM5 P41594 12/20 1.00
HRH1 P35367 1/20 0.76
TMEM97 Q5BJF2 1/20 0.76
SLC6A15 Q9H2J7 1/20 0.37
TRPV1 Q8NER1 2/20 0.37

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
SCHEMBL2885670 0.89 GRM1 (0.80) GRM1GRM5HRH1TMEM97SLC6A15
SCHEMBL2891637 0.87 GRM1 (0.77) GRM1GRM5HRH1TMEM97
SCHEMBL2890559 0.87 GRM1 (0.78) GRM1GRM5HRH1TMEM97TRPV1
SCHEMBL658737 0.86 GRM1 (1.00) GRM1GRM5HRH1TMEM97TRPV1
SCHEMBL12975637 0.85 GRM1 (0.76) GRM1GRM5HRH1TMEM97TRPV1
SCHEMBL2885108 0.84 GRM1 (0.77) GRM1GRM5HRH1TMEM97TRPV1
SCHEMBL2889291 0.84 GRM1 (0.73) GRM1GRM5HRH1TMEM97SLC6A15
SCHEMBL12975649 0.84 GRM1 (0.74) GRM1GRM5HRH1TMEM97TRPV1
SCHEMBL12975656 0.83 GRM1 (0.73) GRM1GRM5HRH1TMEM97TRPV1
SCHEMBL2892619 0.83 GRM1 (0.72) GRM1GRM5HRH1TMEM97TRPV1

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 11 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 claimed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US claimed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP claimed
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 26/4885HRH1 166/4885

“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.