SCHEMBL4387949

SCHEMBL4387949

N#CC(C#N)=C(NC1CCN(Cc2ccccc2)CC1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.55
MBTD1 Q05BQ5 2/20 0.47
L3MBTL3 Q96JM7 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SIGMAR1 Q99720 3/20 0.47
GAA P10253 1/20 0.47
DRD4 P21917 4/20 0.46
KMT2A Q03164 3/20 0.45
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
ACHE P22303 1/20 0.44
MEN1 O00255 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL4381667 0.79 DPP7 (0.44) DPP7SIGMAR1GAADRD4KMT2A
SCHEMBL6212951 0.78 L3MBTL3 (0.66) MBTD1L3MBTL3L3MBTL1SIGMAR1DRD4
SCHEMBL4383023 0.77 DPP7 (0.62) DPP7SIGMAR1DRD4KMT2ADRD2
Hydrochloric Acid SCHEMBL28690097 0.76 L3MBTL3 (0.64) MBTD1L3MBTL3L3MBTL1SIGMAR1DRD4
SCHEMBL13990656 0.76 L3MBTL3 (0.68) MBTD1L3MBTL3L3MBTL1SIGMAR1DRD4
SCHEMBL8713729 0.74 GAA (0.50) SIGMAR1GAA
SCHEMBL3285312 0.74 DRD2 (0.65) MBTD1L3MBTL3L3MBTL1SIGMAR1DRD4
SCHEMBL3552998 0.74 SIGMAR1 (0.67) DPP7L3MBTL1SIGMAR1DRD4KMT2A
Hydrochloric Acid SCHEMBL4324912 0.72 DRD2 (0.63) MBTD1L3MBTL3L3MBTL1SIGMAR1DRD4
SCHEMBL24163317 0.71 RECQL (0.69) MBTD1L3MBTL3SIGMAR1DRD4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 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 (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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 DPP7 2407/4885MBTD1 3597/4885L3MBTL3 1965/4885

“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.