SCHEMBL2889708

SCHEMBL2889708

Cc1c(C2=CCN(C(=O)O)CC2)nnn1-c1ccccc1F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 12/20 0.59
GRM5 P41594 9/20 0.59
HRH1 P35367 1/20 0.59
TMEM97 Q5BJF2 1/20 0.59
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TRPV1 Q8NER1 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TP53 P04637 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 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
SCHEMBL14582020 0.89 GRM1 (0.62) GRM1GRM5HRH1TMEM97NPC1
SCHEMBL2885810 0.87 GRM1 (0.54) GRM1GRM5HRH1TMEM97TRPV1
SCHEMBL2890559 0.86 GRM1 (0.78) GRM1GRM5HRH1TMEM97TRPV1
SCHEMBL2885954 0.86 GRM1 (0.75) GRM1GRM5HRH1TMEM97
SCHEMBL2891852 0.85 GRM1 (0.51) GRM1GRM5HRH1TMEM97NPC1
SCHEMBL2893825 0.84 GRM1 (0.45) GRM1GRM5HRH1TMEM97TRPV1
SCHEMBL2890753 0.82 GRM1 (0.61) GRM1GRM5HRH1TMEM97TRPV1
SCHEMBL2885140 0.80 GRM1 (0.68) GRM1GRM5HRH1TMEM97TRPV1
SCHEMBL2889093 0.79 GRM1 (0.67) GRM1GRM5HRH1TMEM97TRPV1
SCHEMBL5489848 0.77 GRM1 (0.55) GRM1GRM5HRH1TMEM97

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 3 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-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.