SCHEMBL4396105

SCHEMBL4396105

CS(=O)(=O)C(C#N)=C1N(CCCN2CCCCC2)CCN1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.42
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
THRB P10828 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL4382972 0.86 HRH3 (0.56) HRH3DPP7DRD2DRD4DRD3
SCHEMBL5500809 0.82 HRH3 (0.46) HRH3
SCHEMBL4391299 0.81 HRH3 (0.52) HRH3DPP7DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL4385813 0.81 HRH3 (0.46) HRH3
SCHEMBL4382962 0.80 HRH3 (0.54) HRH3DRD2DRD4DRD3CHRM2
SCHEMBL4384562 0.78 HRH3 (0.62) HRH3SMN1; SMN2CYP2D6
SCHEMBL4396106 0.78 HRH3 (0.40) HRH3RECQLSMN1; SMN2DPP7DRD2
SCHEMBL4396102 0.78 HRH3 (0.40) HRH3RECQLSMN1; SMN2DPP7DRD2
SCHEMBL4387729 0.77 HRH3 (0.44) HRH3SMN1; SMN2DRD2DRD4DRD3
SCHEMBL4388989 0.75 HRH3 (0.53) HRH3DRD2DRD4DRD3CHRM2

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 HRH3 452/4885RECQL 41/4885SMN1; SMN2 3979/4885

“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.