SCHEMBL5000912

SCHEMBL5000912

COc1ccc(Cl)cc1-c1cncc(N2CCN(c3ccccc3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.47
SUV39H2 Q9H5I1 2/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HRH4 Q9H3N8 1/20 0.44
MAPK1 P28482 1/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 5/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4995211 0.91 MEN1 (0.46) SUV39H2ALDH1A1KDM4EHRH4CYP1A2
SCHEMBL4996849 0.88 LMNA (0.53) ALDH1A1KDM4EDRD2DRD4DRD3
SCHEMBL14091319 0.81 MAPT (0.55) ALDH1A1KDM4EDRD2MAPTHSD17B10
SCHEMBL4992310 0.80 LMNA (0.49) ALDH1A1KDM4EMAPK1MAPTHSD17B10
SCHEMBL4997510 0.78 MAPT (0.60) ALDH1A1KDM4EMAPK1MAPTHSD17B10
SCHEMBL4995032 0.77 MAPT (0.52) ALDH1A1KDM4EMAPK1MAPTNPSR1
SCHEMBL5000702 0.76 MAPT (0.45) SUV39H2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL4996259 0.76 HTR7 (0.44) ALDH1A1KDM4EMAPK1MAPTNPSR1
SCHEMBL4997424 0.76 FYN (0.50) SUV39H2ALDH1A1NPSR1LMNAPOLB
SCHEMBL4997044 0.76 HTR7 (0.46) ALDH1A1KDM4ECYP1A2MAPTNPC1

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C RBP4 1744/4885SUV39H2 3181/4885ALDH1A1 1034/4885

“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.