SCHEMBL2890749

SCHEMBL2890749

CCCc1c(C2=CCN(C(=O)OC(C)C)CC2)nnn1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.54
GRM5 P41594 10/20 0.54
HRH1 P35367 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ROCK1 Q13464 1/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PDK4 Q16654 1/20 0.35

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
SCHEMBL2885002 0.85 GRM1 (0.69) GRM1GRM5HRH1TMEM97KCNH2
SCHEMBL2885712 0.83 GRM1 (0.56) GRM1GRM5HRH1TMEM97ALDH1A1
SCHEMBL2892885 0.76 GRM1 (0.60) GRM1GRM5HRH1TMEM97
SCHEMBL12975607 0.76 GRM1 (0.69) GRM1GRM5HRH1TMEM97
SCHEMBL2889291 0.74 GRM1 (0.73) GRM1GRM5HRH1TMEM97KCNH2
SCHEMBL2889303 0.74 GRM1 (0.74) GRM1GRM5ALDH1A1KCNH2HRH3
SCHEMBL2890747 0.74 ROCK1 (0.39) ALDH1A1ROCK1LMNA
SCHEMBL2892933 0.74 GRM1 (0.44) GRM1GRM5HRH1TMEM97ALDH1A1
SCHEMBL2893091 0.73 GRM1 (0.61) GRM1GRM5PDK4
SCHEMBL2893158 0.71 GRM1 (0.69) GRM1GRM5HRH1TMEM97PDK4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.