SCHEMBL3390726

SCHEMBL3390726

[CH2]CC(C)CN1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
POLB P06746 1/20 0.33
BAX Q07812 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
RAD52 P43351 1/20 0.33
CXCR4 P61073 2/20 0.32
IDO1 P14902 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
PADI1 Q9ULC6 1/20 0.31
PADI4 Q9UM07 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A2 P23975 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL3103675 0.80 SMN1; SMN2 (0.46) SMN1; SMN2CHRM5CHRM3POLBBAX
SCHEMBL13896838 0.78 SMN1; SMN2 (0.41) SMN1; SMN2CHRM5CHRM3POLBBAX
SCHEMBL6198611 0.77 SMN1; SMN2 (0.47) SMN1; SMN2CHRM5CHRM3POLBBAX
Hydrochloric Acid SCHEMBL6483595 0.77 SMN1; SMN2 (0.47) SMN1; SMN2CHRM5CHRM3POLBBAX
Hydrochloric Acid SCHEMBL6476664 0.77 SMN1; SMN2 (0.47) SMN1; SMN2CHRM5CHRM3POLBBAX
SCHEMBL3106302 0.77 SMN1; SMN2 (0.43) SMN1; SMN2CHRM5CHRM3POLBRAD52
Hydrochloric Acid SCHEMBL6476660 0.77 SMN1; SMN2 (0.47) SMN1; SMN2CHRM5CHRM3POLBBAX
SCHEMBL208440 0.77 SMN1; SMN2 (0.50) SMN1; SMN2CHRM5CHRM3POLBRAD52
SCHEMBL6921848 0.77 SMN1; SMN2 (0.50) SMN1; SMN2CHRM5CHRM3POLBRAD52
SCHEMBL25470126 0.75 SMN1; SMN2 (0.46) SMN1; SMN2CHRM5CHRM3POLBBAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516420-B1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS MEDICIS PHARMACEUTICAL CORP (US) 2018-08-22 EP disclosed
US-8901146-B2 Aminoalkylpyrimidine derivatives as histamine H4 receptor antagonists MEDICIS PHARMACEUTICAL CORPORATION (US) 2014-12-02 US disclosed
US-20130018031-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS MEDICIS PHARMACEUTICAL CORPORATION (US) 2013-01-17 US disclosed
WO-2010094721-A1 PIPERIDIN-PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H4 RECEPTOR PALAU PHARMA, S. A. (ES) 2010-08-26 WO disclosed
WO-2010043633-A1 2H-PYRAZOLO [4,3-D]PYRIMIDIN-5-AMINE DERIVATIVES AS H4 HISTAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGIC, IMMUNOLOGICAL AND INFLAMMATORY DISEASES PALAU PHARMA, S. A. (ES) 2010-04-22 WO 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-20130018031-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS HRH4, HRH2, HRH3 SMN1; SMN2 4871/4885CHRM5 849/4885CHRM3 774/4885

“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.