SCHEMBL4388051

SCHEMBL4388051

N#CC(C#N)=C(NCCO)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.54
SIGMAR1 Q99720 4/20 0.52
KMT2A Q03164 3/20 0.52
DRD4 P21917 2/20 0.52
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 2/20 0.52
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
MEN1 O00255 1/20 0.50
TMEM97 Q5BJF2 2/20 0.49
MCHR1 Q99705 2/20 0.49
POLB P06746 2/20 0.49
SLC6A12 P48065 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4387958 0.93 DPP7 (0.52) DPP7SIGMAR1KMT2ADRD4MAPK1
SCHEMBL4383023 0.89 DPP7 (0.62) DPP7SIGMAR1KMT2ADRD4MAPK1
SCHEMBL4383295 0.81 MCHR1 (0.47) DPP7SIGMAR1KMT2ADRD4DRD2
SCHEMBL4690024 0.76 ACHE (0.69) DPP7SIGMAR1KMT2AALDH1A1MEN1
SCHEMBL8329414 0.73 SIGMAR1 (0.53) SIGMAR1ALDH1A1DRD3TMEM97MCHR1
Methylamine SCHEMBL27725391 0.72 ACHE (0.64) DPP7SIGMAR1KMT2AALDH1A1MEN1
SCHEMBL6316398 0.72 SIGMAR1 (0.73) SIGMAR1POLBL3MBTL1
SCHEMBL2425554 0.71 SIGMAR1 (0.78) DPP7SIGMAR1KMT2ADRD4MAPK1
SCHEMBL694949 0.71 SIGMAR1 (0.82) SIGMAR1KMT2ADRD4MAPK1DRD2
SCHEMBL3075354 0.71 SIGMAR1 (0.81) SIGMAR1POLBL3MBTL1

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 2407/4885SIGMAR1 984/4885KMT2A 441/4885

“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.