SCHEMBL7079699

SCHEMBL7079699

COC(=O)CC1Cc2ccc(C#CCCCNC(=O)OC(C)(C)C)cc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CACNA1G O43497 2/20 0.37
GBA1 P04062 1/20 0.37
DRD2 P14416 1/20 0.36
PTPN11 Q06124 1/20 0.35
MMP1 P03956 2/20 0.35
MMP13 P45452 2/20 0.35
ADAM17 P78536 2/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
ADRA2A P08913 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
P2RY6 Q15077 1/20 0.34
ADORA3 P0DMS8 6/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34

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
SCHEMBL7075422 0.97 CACNA1G (0.38) DDB1CRBNCACNA1GGBA1DRD2
SCHEMBL7076387 0.95 GBA1 (0.41) DDB1CRBNCACNA1GGBA1DRD2
SCHEMBL7075285 0.87 HDAC3 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7079688 0.85 HTT (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7071200 0.84 HDAC3 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7076950 0.84 HDAC3 (0.35) CACNA1GGABRPGABRDGABRA1GABRB1
SCHEMBL7076970 0.83 GABRP (0.33) DDB1CRBNGABRPGABRDGABRA1
SCHEMBL7072116 0.83 CA12 (0.46) CACNA1GDRD2ADAM17CA12CA1
SCHEMBL7075931 0.82 HTT (0.37) GBA1GABRPGABRDGABRA1GABRB1
SCHEMBL7073260 0.82 GAA (0.43) CACNA1GHDAC2HDAC8HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US disclosed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 US 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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin ITGAV, ITGB2, ITGB3 DDB1 3319/4885CRBN 3154/4885CACNA1G 117/4885

“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.