SCHEMBL7076387

SCHEMBL7076387

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.41
DDB1 Q16531 3/20 0.39
CRBN Q96SW2 3/20 0.39
PTPN11 Q06124 1/20 0.36
ADRA2A P08913 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
P2RY6 Q15077 1/20 0.35
CACNA1G O43497 2/20 0.35
DRD2 P14416 2/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 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
SCHEMBL7079699 0.95 DDB1 (0.38) GBA1DDB1CRBNPTPN11ADRA2A
SCHEMBL7075422 0.94 CACNA1G (0.38) GBA1DDB1CRBNPTPN11CACNA1G
SCHEMBL7071201 0.86 USP2 (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7076970 0.85 GABRP (0.33) DDB1CRBNGABRPGABRDGABRA1
SCHEMBL7075931 0.84 HTT (0.37) GBA1GABRPGABRDGABRA1GABRB1
SCHEMBL7079688 0.82 HTT (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7073177 0.81 DGAT1 (0.41) DDB1CRBNCACNA1GGAAHDAC2
SCHEMBL7072150 0.81 PDK2 (0.47) DDB1CRBNCACNA1GDRD2CA12
SCHEMBL7076950 0.81 HDAC3 (0.35) CACNA1GGABRPGABRDGABRA1GABRB1
SCHEMBL7075285 0.81 HDAC3 (0.33) GABRPGABRDGABRA1GABRB1GABRG2

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 GBA1 1430/4885DDB1 3319/4885CRBN 3154/4885

“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.