SCHEMBL7079103

SCHEMBL7079103

COC(=O)CC1Cc2ccc(OCCN)cc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AOC3 Q16853 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
LCK P06239 1/20 0.37
MAOB P27338 7/20 0.37
MAOA P21397 6/20 0.37
DRD2 P14416 5/20 0.36
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL7075230 0.93 AOC3 (0.36) HTTHSD17B10AOC3LCKMAOB
Trifluoroacetic Acid SCHEMBL7075914 0.88 CA12 (0.39) AOC3MAOBMAOADRD2DRD4
SCHEMBL7076928 0.87 PPARD (0.41) LCKMAOBMAOAPPARGPPARD
Trifluoroacetic Acid SCHEMBL7071672 0.87 CA12 (0.42) MAOBMAOADRD2DRD4DRD3
SCHEMBL7072903 0.87 USP2 (0.41) HTTHSD17B10USP2GAA
SCHEMBL7075827 0.86 DRD2 (0.37) HTTHSD17B10USP2GAAMAOB
SCHEMBL7072150 0.83 PDK2 (0.47) GAADRD2
SCHEMBL7072116 0.82 CA12 (0.46) GAADRD2
SCHEMBL7073100 0.82 ITGB3 (0.43) MAOBMAOAPPARGPPARDPPARA
SCHEMBL7073390 0.81 GAA (0.42) HTTHSD17B10USP2GAA

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 HTT 4867/4885HSD17B10 3835/4885AOC3 2431/4885

“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.