SCHEMBL2247332

SCHEMBL2247332

O=C(O)CC[C@H](NC(=O)c1cccc2c1Cc1ccccc1-2)C(=O)NCCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
NPFFR1 Q9GZQ6 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46
CCKBR P32239 1/20 0.46
TACR2 P21452 1/20 0.42
FOLH1 Q04609 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP8 P22894 2/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL2251709 0.89 DRD2 (0.47) DRD2DRD4DRD3NPFFR1NPFFR2
SCHEMBL2244023 0.88 MEN1 (0.47) DRD2DRD4DRD3CCKBRKMT2A
SCHEMBL2248774 0.83 CCKBR (0.51) DRD2DRD4DRD3CCKBRFOLH1
SCHEMBL2247751 0.78 MMP2 (0.58)
SCHEMBL2246518 0.76 L3MBTL1 (0.58) CCKBRFOLH1MMP8
SCHEMBL11574965 0.75 DRD2 (0.55) DRD2DRD4DRD3CYP2D6CYP2C9
SCHEMBL2247862 0.74 CCKBR (0.51) CCKBRFOLH1
SCHEMBL2245397 0.73 FOLH1 (0.59) CCKBRFOLH1MMP8
SCHEMBL2244001 0.73 CCKBR (0.54) CCKBRFOLH1
SCHEMBL2245708 0.73 FOLH1 (0.54) CCKBRFOLH1

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-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 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 (2 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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 DRD2 4201/4885DRD4 4335/4885DRD3 4018/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 DRD2 4201/4885DRD4 4335/4885DRD3 4018/4885

“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.