SCHEMBL7079098

SCHEMBL7079098

N=C(N)NCCCCOc1ccc2c(c1)CC(CCC(=O)O)C(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.38
PDE3A Q14432 9/20 0.38
P2RY12 Q9H244 1/20 0.38
ITGB3 P05106 5/20 0.37
ITGA2B P08514 3/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
ITGAV P06756 3/20 0.35
ITGB1 P05556 1/20 0.35
ITGB5 P18084 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
PDE2A O00408 2/20 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
SCHEMBL7075187 0.97 ITGB3 (0.38) PDE3BPDE3AP2RY12ITGB3ITGA2B
SCHEMBL7071206 0.94 F10 (0.38) PDE3BPDE3AP2RY12ITGB3ITGA2B
SCHEMBL7071533 0.92 ITGB3 (0.37) PDE3BPDE3AP2RY12ITGB3ITGA2B
SCHEMBL7075503 0.91 PPARD (0.40) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7075939 0.89 ITGB3 (0.38) PDE3BPDE3AP2RY12ITGB3ITGA2B
SCHEMBL7071285 0.88 ITGB3 (0.42) ITGB3ITGA2BITGAVITGB1ITGB5
Trifluoroacetic Acid SCHEMBL7078808 0.86 ITGB3 (0.41) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7073413 0.86 F10 (0.38) PDE3BPDE3AP2RY12ITGB3ITGA2B
SCHEMBL7078812 0.81 ITGB3 (0.34) PDE3BPDE3AITGB3ITGA2BPDE4A
SCHEMBL7076613 0.80 PDE3B (0.38) PDE3BPDE3AP2RY12ITGB3ITGA2B

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 PDE3B 518/4885PDE3A 700/4885P2RY12 2629/4885

“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.