SCHEMBL7076970

SCHEMBL7076970

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
DDB1 Q16531 2/20 0.32
CRBN Q96SW2 2/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7076387 0.85 GBA1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7073985 0.84 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7079699 0.83 DDB1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7075931 0.83 HTT (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7076617 0.83 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7075422 0.83 CACNA1G (0.38) DDB1CRBNHDAC2HDAC8HDAC6
SCHEMBL7079688 0.82 HTT (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7076950 0.81 HDAC3 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7071201 0.79 USP2 (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7075285 0.77 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 4 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
EP-1198231-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE(ALPHA)V(BETA)3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-24 EP disclosed
WO-2001007036-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE αvβ3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-01 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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin ITGAV, ITGB2, ITGB3 GABRP 351/4885GABRD 486/4885GABRA1 285/4885

“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.