SCHEMBL2889077

SCHEMBL2889077

Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.52
ALDH1A1 P00352 3/20 0.50
KIT P10721 1/20 0.48
CKS1B P61024 2/20 0.48
SKP1 P63208 2/20 0.48
SKP2 Q13309 2/20 0.48
GBA1 P04062 2/20 0.48
MAPT P10636 4/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.46
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
ESR2 Q92731 1/20 0.46
GRM5 P41594 1/20 0.45
GRM1 Q13255 1/20 0.45
NAMPT P43490 1/20 0.45

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
SCHEMBL14582394 0.87 ALDH1A1 (0.53) ALDH1A1MAPTTP53LMNA
SCHEMBL2890817 0.84 HTT (0.52) ALDH1A1MAPTTP53LMNA
SCHEMBL2889356 0.84 ALDH1A1 (0.50) ALDH1A1TP53LMNAGRM5GRM1
SCHEMBL2893886 0.84 GPR119 (0.42) GPR119ALDH1A1CKS1BSKP1SKP2
SCHEMBL2892750 0.81 GAA (0.51) ALDH1A1MAPTTP53LMNA
SCHEMBL12975589 0.80 POLB (0.56) GPR119KITCKS1BSKP1SKP2
SCHEMBL1458887 0.79 GPR119 (0.76) GPR119ALDH1A1CKS1BSKP1SKP2
SCHEMBL2708676 0.77 GPR119 (0.52) GPR119ALDH1A1KITCKS1BSKP1
SCHEMBL3564931 0.77 CKS1B (0.54) GPR119ALDH1A1CKS1BSKP1SKP2
SCHEMBL12975585 0.76 GRM1 (0.60) GPR119ALDH1A1CKS1BSKP1SKP2

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 GPR119 139/4885ALDH1A1 712/4885KIT 3150/4885

“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.