SCHEMBL2247779

SCHEMBL2247779

NC(=O)CC[C@@H](C(=O)O)N(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@H](CO)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.43
DRD2 P14416 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2B P41595 1/20 0.41
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
MCHR1 Q99705 1/20 0.37
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ROCK2 O75116 5/20 0.34
SRD5A1 P18405 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL2251970 0.82 ALDH1A1 (0.42) ROCK2MAPTMME
SCHEMBL4369267 0.71 SRD5A2 (0.46) SRD5A2DRD2ADRA1DHTR2AHTR2C
SCHEMBL2248215 0.69 CA2 (0.54) SRD5A2DRD2ADRA1DHTR2AHTR2C
SCHEMBL2251731 0.69 SRD5A2 (0.41) SRD5A2DRD2ADRA1DHTR2AHTR2C
SCHEMBL2247429 0.68 SRD5A2 (0.43) SRD5A2DRD2ADRA1DHTR2AHTR2C
SCHEMBL2219306 0.65 SLC1A3 (0.60) SRD5A2DRD2ADRA1DHTR2AHTR2C
SCHEMBL1712557 0.65 SLC1A3 (0.60) SRD5A2DRD2ADRA1DHTR2AHTR2C
SCHEMBL2219303 0.65 SLC1A3 (0.60) SRD5A2DRD2ADRA1DHTR2AHTR2C
SCHEMBL29773950 0.65 SRD5A2 (0.72) SRD5A2DRD2ADRA1DHTR2AHTR2C
SCHEMBL1700638 0.65 SRD5A2 (0.72) SRD5A2DRD2ADRA1DHTR2AHTR2C

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 SRD5A2 3124/4885DRD2 4201/4885ADRA1D 4704/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 SRD5A2 3124/4885DRD2 4201/4885ADRA1D 4704/4885

“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.