SCHEMBL2889747

SCHEMBL2889747

Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2=O)nnn1-c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.49
SCN5A Q14524 1/20 0.49
GRM5 P41594 4/20 0.45
GRM1 Q13255 4/20 0.45
SCN10A Q9Y5Y9 2/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 2/20 0.39
KDM1B Q8NB78 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
P2RX3 P56373 1/20 0.37
MAPK1 P28482 1/20 0.37
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL2889100 0.89 MEN1 (0.45) TP53THRBMAPTMEN1KMT2A
SCHEMBL2893886 0.86 GPR119 (0.42) GRM5GRM1TP53THRBMAPT
SCHEMBL2894092 0.86 MEN1 (0.45) SCN9ASCN5AMEN1KMT2AMAPK1
SCHEMBL1583488 0.85 MEN1 (0.51) SCN9ASCN5AGRM5GRM1SCN10A
SCHEMBL30734152 0.85 MEN1 (0.51) SCN9ASCN5AGRM5GRM1SCN10A
SCHEMBL12975581 0.84 POLB (0.49) GRM5GRM1TP53MAPTSMARCA2
SCHEMBL1663068 0.77 GRM5 (0.51) SCN9ASCN5AGRM5GRM1MAPT
SCHEMBL3653185 0.76 P2RX7 (0.55) GRM5GRM1MAPTSMARCA2SMARCA4
SCHEMBL2889480 0.75 P2RX7 (0.42) SCN9AGRM5GRM1SCN10A
SCHEMBL14582539 0.74 HTT (0.43) TP53MAPTMEN1KMT2AMAPK1

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 SCN9A 548/4885SCN5A 695/4885GRM5 26/4885

“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.