SCHEMBL5986956

SCHEMBL5986956

NCc1ccc(CN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.77
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
DRD2 P14416 5/20 0.60
DRD3 P35462 3/20 0.60
HTT P42858 1/20 0.57
SIGMAR1 Q99720 2/20 0.57
CYP2D6 P10635 1/20 0.56
HTR7 P34969 1/20 0.54
CHRNA7 P36544 1/20 0.53
HTR1A P08908 1/20 0.53

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
SCHEMBL6263381 0.89 DRD4 (0.70) DRD4KDM4EALDH1A1DRD2DRD3
SCHEMBL6031812 0.87 DRD4 (1.00) DRD4KDM4EALDH1A1DRD2DRD3
SCHEMBL6221968 0.87 DRD4 (0.72) DRD4KDM4EALDH1A1DRD2DRD3
SCHEMBL1711188 0.86 DRD4 (0.77) DRD4KDM4EALDH1A1DRD2DRD3
SCHEMBL22532699 0.84 DRD4 (0.79) DRD4KDM4EALDH1A1DRD2DRD3
SCHEMBL12861757 0.84 DRD4 (0.79) DRD4KDM4EALDH1A1DRD2DRD3
SCHEMBL4649494 0.84 DRD4 (0.87) DRD4KDM4EALDH1A1DRD2DRD3
SCHEMBL27396194 0.83 MAPT (0.57) DRD4KDM4EALDH1A1DRD2DRD3
SCHEMBL24564964 0.83 PRMT6 (0.69) KDM4EALDH1A1SIGMAR1CYP2D6
SCHEMBL3242187 0.83 DRD4 (0.77) DRD4KDM4EALDH1A1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167014-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2006-07-27 US disclosed
EP-1029851-B1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2005-04-20 EP disclosed
US-20030055064-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-03-20 US disclosed
US-20030018034-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-01-23 US disclosed
US-6455528-B1 TUMOR NECROSIS FACTOR ANTAGONIST AND/OR INTERLEUKIN PROMOTER; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE TREATMENT MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
EP-1029851-A1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-08-23 EP 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 (3 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-20030055064-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 DRD4 1120/4885KDM4E 2185/4885ALDH1A1 710/4885
US-20030018034-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 DRD4 1149/4885KDM4E 2169/4885ALDH1A1 788/4885
US-20060167014-A1 Piperazine compounds and medicinal use thereof TNF, CCR10, RELA DRD4 865/4885KDM4E 1862/4885ALDH1A1 1148/4885

“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.