SCHEMBL4250719

SCHEMBL4250719

O=C(C(=O)n1nnc2ccccc21)n1nnc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.68
MGAM O43451 9/20 0.68
AMY1A P0DUB6 9/20 0.68
SI P14410 9/20 0.68
MGAM2 Q2M2H8 9/20 0.68
KMT2A Q03164 3/20 0.68
F2 P00734 2/20 0.68
HPGD P15428 1/20 0.68
SLC9A1 P19634 1/20 0.68
DGAT1 O75907 1/20 0.66
KCNMA1 Q12791 1/20 0.62
F12 P00748 6/20 0.60
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MIF P14174 1/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL8693720 0.90 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL10621117 0.88 GAA (0.64) GAAMGAMAMY1ASIMGAM2
SCHEMBL706083 0.88 MGAM (0.68) GAAMGAMAMY1ASIMGAM2
SCHEMBL170673 0.86 GAA (0.71) GAAMGAMAMY1ASIMGAM2
SCHEMBL1756653 0.86 DGAT1 (0.69) GAAMGAMAMY1ASIMGAM2
SCHEMBL5490033 0.86 GAA (0.62) GAAMGAMAMY1ASIMGAM2
SCHEMBL4489338 0.84 GAA (0.55) GAAMGAMAMY1ASIMGAM2
SCHEMBL3840404 0.84 GAA (0.69) GAAMGAMAMY1ASIMGAM2
SCHEMBL443991 0.84 GAA (0.64) GAAMGAMAMY1ASIMGAM2
SCHEMBL427058 0.84 GAA (0.64) GAAMGAMAMY1ASIMGAM2

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-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
EP-2099454-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS Abbott Laboratories (US) 2009-09-16 EP disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 WO disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 WO 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 GAA 4503/4885MGAM 4709/4885AMY1A 2889/4885

“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.