SCHEMBL4387864

SCHEMBL4387864

C[C@H]1CCCN1CCN1CCN(C2CCN(Cc3ccccc3)CC2)C1=C(C#N)C#N

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.60
DRD2 P14416 4/20 0.44
DRD4 P21917 4/20 0.44
DRD3 P35462 4/20 0.44
ACHE P22303 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
HPN P05981 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
HGFAC Q04756 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38

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
SCHEMBL4382010 1.00 HRH3 (0.60) HRH3DRD2DRD4DRD3ACHE
SCHEMBL4388989 0.94 HRH3 (0.53) HRH3DRD2DRD4DRD3ACHE
SCHEMBL4382962 0.85 HRH3 (0.54) HRH3DRD2DRD4DRD3CHRM2
SCHEMBL4383178 0.83 DRD2 (0.42) HRH3DRD2DRD4DRD3ACHE
SCHEMBL4386020 0.83 DRD2 (0.47) HRH3DRD2DRD4DRD3ACHE
SCHEMBL4382972 0.81 HRH3 (0.56) HRH3DRD2DRD4DRD3ACHE
SCHEMBL4384577 0.81 DRD2 (0.45) HRH3DRD2DRD4DRD3ACHE
SCHEMBL4382015 0.80 DRD2 (0.40) HRH3DRD2DRD4DRD3ACHE
SCHEMBL4382006 0.80 DRD2 (0.40) HRH3DRD2DRD4DRD3ACHE
SCHEMBL4387862 0.80 DRD2 (0.40) HRH3DRD2DRD4DRD3ACHE

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 452/4885DRD2 83/4885DRD4 75/4885

“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.