SCHEMBL7791944

SCHEMBL7791944

O=C(O)C[C@]1(OC(=O)C(F)(F)F)CC[C@H](CCN2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.46
ITGA2B P08514 11/20 0.46
DRD2 P14416 4/20 0.45
DRD3 P35462 4/20 0.45
HRH3 Q9Y5N1 2/20 0.41
DRD4 P21917 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.39

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
SCHEMBL7790818 0.86 ITGB3 (0.45) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7791942 0.83 ITGB3 (0.48) ITGB3ITGA2BDRD2DRD3DRD4
SCHEMBL7788333 0.81 DRD2 (0.51) ITGB3ITGA2BDRD2DRD3HRH3
SCHEMBL7791946 0.81 DRD2 (0.45) ITGB3ITGA2BDRD2DRD3HRH3
SCHEMBL7782696 0.76 ITGB3 (0.48) ITGB3ITGA2BDRD2DRD3HRH3
SCHEMBL7790832 0.76 ITGB3 (0.47) ITGB3ITGA2BHRH3
SCHEMBL7782716 0.76 DRD2 (0.59) ITGB3ITGA2BDRD2DRD3HRH3
SCHEMBL7791952 0.74 DRD4 (0.47) ITGB3ITGA2BDRD2DRD3HRH3
SCHEMBL7790806 0.74 DRD4 (0.47) ITGB3ITGA2BDRD2DRD3HRH3
SCHEMBL7790321 0.73 DRD2 (0.46) ITGB3ITGA2BDRD2DRD3HRH3

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 3222/4885DRD2 752/4885

“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.