SCHEMBL4393985

SCHEMBL4393985

N#CC(C#N)=C1N(CCCN2CCOCC2)CCN1C1CCN(C2CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.50
L3MBTL3 Q96JM7 1/20 0.35
CTSK P43235 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KEAP1 Q14145 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4389717 0.88 HRH3 (0.65) HRH3L3MBTL3CYP3A4CYP2C9
SCHEMBL4391564 0.88 HRH3 (0.49) HRH3CTSKSMN1; SMN2KEAP1KDM4E
SCHEMBL13788008 0.86 HRH3 (0.49) HRH3
SCHEMBL4392329 0.86 HRH3 (0.50) HRH3CTSKSMN1; SMN2KEAP1KDM4E
SCHEMBL4383770 0.86 HRH3 (0.47) HRH3CTSKCYP1A2CYP2D6
SCHEMBL4392499 0.83 HRH3 (0.43) HRH3
SCHEMBL4387729 0.82 HRH3 (0.44) HRH3CYP3A4CYP2C9SMN1; SMN2KDM4E
SCHEMBL4383979 0.80 HRH3 (0.75) HRH3SMN1; SMN2KEAP1KDM4EMAPT
SCHEMBL4384351 0.78 HRH3 (0.67) HRH3CTSKMAPT
SCHEMBL4383870 0.78 HRH3 (0.81) HRH3SMN1; SMN2KEAP1KDM4EMAPT

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-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US 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 HRH3 452/4885L3MBTL3 1965/4885CTSK 3422/4885

“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.