SCHEMBL5986969

SCHEMBL5986969

NCc1ccc(CN2CCN(c3ncccn3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
KDM4E B2RXH2 2/20 0.72
ALDH1A1 P00352 3/20 0.70
TSHR P16473 1/20 0.70
HSD17B10 Q99714 1/20 0.62
DRD2 P14416 4/20 0.58
DRD3 P35462 4/20 0.58
GAA P10253 1/20 0.58
USP2 O75604 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
HTR1A P08908 1/20 0.58
ADRA2A P08913 1/20 0.58
CYP2D6 P10635 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
NFKB1 P19838 1/20 0.58
SLC6A2 P23975 1/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL1876523 0.92 MEN1 (0.87) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL8357217 0.85 ALDH1A1 (0.82) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL27457689 0.84 HTR1A (0.60) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL3585542 0.83 ALDH1A1 (1.00) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL24564964 0.80 PRMT6 (0.69) KDM4EALDH1A1CYP2D6CYP2C19POLB
SCHEMBL7508092 0.79 ALDH1A1 (0.67) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL19135750 0.77 MEN1 (0.70) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL11816891 0.77 ALDH1A1 (0.65) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL25138682 0.77 ALDH1A1 (0.73) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL13956836 0.77 MEN1 (0.64) MEN1KMT2AKDM4EALDH1A1TSHR

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 MEN1 4747/4885KMT2A 2109/4885KDM4E 2185/4885
US-20030018034-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 MEN1 4758/4885KMT2A 2049/4885KDM4E 2169/4885
US-20060167014-A1 Piperazine compounds and medicinal use thereof TNF, CCR10, RELA MEN1 4586/4885KMT2A 1815/4885KDM4E 1862/4885

“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.