SCHEMBL4392329

SCHEMBL4392329

N#CC(C#N)=C1N(CCCN2CCOCC2)CCN1C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.50
CTSK P43235 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 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
SCHEMBL4388628 0.88 HRH3 (0.65) HRH3CTSKALDH1A1MAPT
Hydrochloric Acid SCHEMBL4391289 0.87 HRH3 (0.64) HRH3CTSKALDH1A1MAPT
SCHEMBL14401651 0.86 HRH3 (0.49) HRH3ALDH1A1SMN1; SMN2
SCHEMBL4393985 0.86 HRH3 (0.50) HRH3CTSKSMN1; SMN2KEAP1KDM4E
SCHEMBL14401650 0.85 HRH3 (0.48) HRH3ALDH1A1
SCHEMBL4391564 0.85 HRH3 (0.49) HRH3CTSKSMN1; SMN2KEAP1KDM4E
SCHEMBL4383770 0.84 HRH3 (0.47) HRH3CTSKCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4393468 0.82 HRH3 (0.42) HRH3
SCHEMBL4387729 0.80 HRH3 (0.44) HRH3SMN1; SMN2KDM4EMAPTCYP1A2
SCHEMBL4383979 0.80 HRH3 (0.75) HRH3SMN1; SMN2HRH2HRH1KEAP1

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 3 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
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 HRH3 452/4885CTSK 3422/4885ALDH1A1 395/4885

“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.