SCHEMBL7787450

SCHEMBL7787450

O=C(O)C(O)C1CCC(CN2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
CYP17A1 P05093 1/20 0.44
CYP21A2 P08686 1/20 0.44
CYP11B1 P15538 1/20 0.44
ITGB3 P05106 6/20 0.41
ITGA2B P08514 6/20 0.41
HRH3 Q9Y5N1 2/20 0.41
DRD4 P21917 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL7790348 0.87 DRD2 (0.45) DRD2DRD3CYP17A1CYP21A2CYP11B1
SCHEMBL7791797 0.87 DRD2 (0.45) DRD2DRD3CYP17A1CYP21A2CYP11B1
SCHEMBL7782683 0.85 DRD2 (0.48) DRD2DRD3CYP17A1CYP21A2CYP11B1
SCHEMBL7787432 0.82 ITGB3 (0.53) DRD2DRD3CYP17A1CYP21A2CYP11B1
SCHEMBL26706255 0.77 CHKA (0.53) DRD2DRD3CYP17A1CYP21A2CYP11B1
SCHEMBL26706256 0.76 CHKA (0.52) DRD2DRD3CYP17A1CYP21A2CYP11B1
SCHEMBL7788361 0.75 ITGB3 (0.47) DRD2DRD3CYP17A1CYP21A2CYP11B1
SCHEMBL7790832 0.71 ITGB3 (0.47) ITGB3ITGA2BHRH3
SCHEMBL31706286 0.71 DRD2 (0.48) DRD2DRD3CYP17A1CYP21A2CYP11B1
SCHEMBL11084741 0.70 DRD2 (0.67) DRD2DRD3DRD4SLC6A4

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 DRD2 752/4885DRD3 326/4885CYP17A1 1057/4885

“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.