SCHEMBL7790824

SCHEMBL7790824

O=C(O)CC1CCN(CCCCCCN2CCN(c3ccnnc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.43
SLC6A2 P23975 4/20 0.43
KCNH2 Q12809 2/20 0.43
DRD4 P21917 3/20 0.42
HTR1A P08908 4/20 0.41
DRD3 P35462 4/20 0.41
HTR2A P28223 3/20 0.41
HTR7 P34969 2/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
DRD2 P14416 2/20 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
SCHEMBL7790830 0.84 DRD2 (0.44) DRD3HTR2AITGB3ITGA2BDRD2
SCHEMBL7790305 0.82 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7790329 0.81 MAPT (0.50) HTR1AHTR7ITGB3ITGA2B
SCHEMBL7790836 0.80 ITGB3 (0.46) HTR1AHTR7ITGB3ITGA2B
SCHEMBL7787452 0.80 KDM4E (0.46) ITGB3ITGA2B
SCHEMBL7787422 0.79 TDP1 (0.49) ITGB3ITGA2B
SCHEMBL7782704 0.78 DRD4 (0.53) SLC6A4DRD4DRD3ITGB3ITGA2B
SCHEMBL7790297 0.76 HTR1A (0.60) SLC6A4DRD4HTR1AHTR7ITGB3
SCHEMBL7790314 0.76 ALDH1A1 (0.47) HTR1AHTR7ITGB3ITGA2B
SCHEMBL7782716 0.76 DRD2 (0.59) SLC6A4DRD4HTR1ADRD3HTR7

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 SLC6A4 3455/4885SLC6A2 4039/4885KCNH2 1865/4885

“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.