SCHEMBL4384561

SCHEMBL4384561

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.49
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.33
CTSK P43235 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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 SCHEMBL4385808 0.82 HRH3 (0.37) HRH3CTSK
Hydrochloric Acid SCHEMBL4385820 0.82 HRH3 (0.37) HRH3CTSK
SCHEMBL4386356 0.81 HRH3 (0.36) HRH3MAPTCTSK
SCHEMBL4386358 0.81 HRH3 (0.36) HRH3MAPTCTSK
SCHEMBL4396106 0.78 HRH3 (0.40) HRH3SMN1; SMN2
SCHEMBL4387809 0.77 HRH3 (0.45) HRH3KCNH2
SCHEMBL4387813 0.77 HRH3 (0.45) HRH3KCNH2
SCHEMBL4392322 0.75
SCHEMBL4392319 0.75
SCHEMBL4388526 0.70 KDM4E (0.33) TSHR

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 452/4885MAPT 4474/4885GAA 3879/4885

“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.