SCHEMBL4384562

SCHEMBL4384562

CS(=O)(=O)C(C#N)=C1N(CCCN2CCCCC2)CCN1CCCN1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.62
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MBTD1 Q05BQ5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.33

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
Hydrochloric Acid SCHEMBL4385813 0.82 HRH3 (0.46) HRH3
SCHEMBL5500809 0.82 HRH3 (0.46) HRH3MAPT
SCHEMBL4387816 0.78 HRH3 (0.57) HRH3HRH1
SCHEMBL4387810 0.78 HRH3 (0.57) HRH3HRH1
SCHEMBL4396105 0.78 HRH3 (0.42) HRH3SMN1; SMN2CYP2D6
SCHEMBL4394477 0.77 HRH3 (1.00) HRH3MAPTMAPK1CYP1A2SMN1; SMN2
SCHEMBL4387811 0.77 HRH3 (1.00) HRH3MAPTMAPK1CYP1A2SMN1; SMN2
SCHEMBL4388303 0.77 HRH3 (1.00) HRH3MAPTMAPK1CYP1A2SMN1; SMN2
SCHEMBL4395380 0.77 HRH3 (1.00) HRH3MAPTMAPK1CYP1A2SMN1; SMN2
SCHEMBL4397604 0.77 HRH3 (0.69) HRH3MAPT

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 5 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
US-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
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 452/4885MAPT 4474/4885MAPK1 2591/4885

“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.