SCHEMBL7790707

SCHEMBL7790707

COc1ccccc1N1CCN(CC2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.66
SLC6A4 P31645 1/20 0.66
MAPK1 P28482 1/20 0.65
DRD4 P21917 4/20 0.63
ADRA1D P25100 2/20 0.61
ADRA1A P35348 2/20 0.61
ADRA1B P35368 2/20 0.61
HTR1A P08908 1/20 0.61
HTR7 P34969 3/20 0.61
DRD2 P14416 3/20 0.60
DRD3 P35462 2/20 0.60
ALDH1A1 P00352 1/20 0.58
HRH2 P25021 1/20 0.57
HRH1 P35367 1/20 0.57
ACHE P22303 1/20 0.57
BACE1 P56817 1/20 0.57
BCHE P06276 1/20 0.57

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
SCHEMBL9225440 0.88 MAPK1 (0.81) MAPK1DRD4ADRA1DADRA1AADRA1B
SCHEMBL13648739 0.87 DRD2 (0.65) SLC6A2SLC6A4DRD4ADRA1DADRA1A
SCHEMBL7800271 0.86 MEN1 (0.57) SLC6A2SLC6A4MAPK1DRD4ADRA1D
Ammonia Solution, Strong SCHEMBL2320933 0.86 DRD2 (0.64) SLC6A2SLC6A4DRD4ADRA1DADRA1A
SCHEMBL3563737 0.84 KDM4E (0.64) SLC6A2SLC6A4MAPK1DRD4ADRA1D
SCHEMBL13698446 0.83 DRD2 (0.61) DRD4ADRA1DADRA1AADRA1BHTR1A
Hydrochloric Acid SCHEMBL3710903 0.83 KDM4E (0.62) SLC6A2SLC6A4MAPK1DRD4ADRA1D
SCHEMBL1779199 0.81 DRD2 (0.62) SLC6A2SLC6A4DRD4ADRA1DADRA1A
SCHEMBL4915560 0.81 DRD2 (0.59) SLC6A2SLC6A4DRD4ADRA1DADRA1A
SCHEMBL4915562 0.81 DRD2 (0.59) SLC6A2SLC6A4DRD4ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010014680-A1 1,4-piperazine derivatives WYETH 2001-08-16 US claimed
US-6255302-B1 NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US claimed
US-20010014680-A1 1,4-piperazine derivatives WYETH 2001-08-16 US disclosed
US-6255302-B1 NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 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-20010014680-A1 1,4-piperazine derivatives ADH1A, ADH1C, SNCA SLC6A2 218/4885SLC6A4 245/4885MAPK1 505/4885

“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.