SCHEMBL2885002

SCHEMBL2885002

Cc1c(C2=CCN(C(=O)OC(C)C)CC2)nnn1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 13/20 0.69
GRM5 P41594 10/20 0.69
HRH1 P35367 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
HTT P42858 1/20 0.41
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TP53 P04637 2/20 0.39
ALOX12 P18054 1/20 0.39
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
CREBBP Q92793 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
PDK4 Q16654 1/20 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
SCHEMBL12975607 0.89 GRM1 (0.69) GRM1GRM5HRH1TMEM97
SCHEMBL2885712 0.87 GRM1 (0.56) GRM1GRM5HRH1TMEM97KCNH2
SCHEMBL2889291 0.86 GRM1 (0.73) GRM1GRM5HRH1TMEM97KCNH2
SCHEMBL2891852 0.86 GRM1 (0.51) GRM1GRM5HRH1TMEM97HTT
SCHEMBL2893158 0.85 GRM1 (0.69) GRM1GRM5HRH1TMEM97PDK4
SCHEMBL2890749 0.85 GRM1 (0.54) GRM1GRM5HRH1TMEM97KCNH2
SCHEMBL2887688 0.84 GRM1 (0.68) GRM1GRM5HRH1TMEM97BRD4
SCHEMBL2885377 0.82 GRM1 (1.00) GRM1GRM5HRH1TMEM97
SCHEMBL2885670 0.82 GRM1 (0.80) GRM1GRM5HRH1TMEM97BRD4
SCHEMBL2889303 0.78 GRM1 (0.74) GRM1GRM5KCNH2HRH3PDK4

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.