SCHEMBL7791932

SCHEMBL7791932

O=C(O)CC1(O)CCC(CCC(=O)N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.52
ITGA2B P08514 16/20 0.52
MMP2 P08253 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL7788394 0.94 ITGB3 (0.55) ITGB3ITGA2BMMP2MAPT
SCHEMBL7790324 0.92 ITGB3 (0.58) ITGB3ITGA2BMMP2MAPT
SCHEMBL7790838 0.92 ITGB3 (0.58) ITGB3ITGA2BMMP2MAPT
SCHEMBL7787513 0.89 ITGB3 (0.49) ITGB3ITGA2BMMP2
Trifluoroacetic Acid SCHEMBL7790815 0.85 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7788333 0.84 DRD2 (0.51) ITGB3ITGA2B
SCHEMBL7790343 0.83 ITGB3 (0.69) ITGB3ITGA2BMMP2MAPT
SCHEMBL7790323 0.83 MAPT (0.52) ITGB3ITGA2BMMP2KDM4EALDH1A1
SCHEMBL7782696 0.83 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7788361 0.82 ITGB3 (0.47) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010009912-A1 NEW DERIVATIVES OF PYRIDIL PIPERAZINE OR PYRIDAZINYL PIPERAZYL, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS TSAKLAKIDIS CHRISTOS (DE) 2001-07-26 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-20010009912-A1 NEW DERIVATIVES OF PYRIDIL PIPERAZINE OR PYRIDAZINYL PIPERAZYL, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS CYP4B1, NR4A1, CYP3A43 ITGB3 1193/4885ITGA2B 3222/4885MMP2 1302/4885

“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.