SCHEMBL4391073

SCHEMBL4391073

N#CC(C#N)=C1N(CCCN2CCC(F)(F)C2)CCN1CCCN1CCC(F)(F)C1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.60
HRH1 P35367 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
HRH2 P25021 1/20 0.30
OPRM1 P35372 2/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL4386913 0.85 HRH3 (0.62) HRH3HRH1HRH2
SCHEMBL4382863 0.81 HRH3 (0.41) HRH3OPRM1
SCHEMBL4381820 0.77 HRH3 (0.97) HRH3
SCHEMBL4394477 0.75 HRH3 (1.00) HRH3
SCHEMBL4388303 0.75 HRH3 (1.00) HRH3
SCHEMBL4395380 0.75 HRH3 (1.00) HRH3
SCHEMBL4387811 0.75 HRH3 (1.00) HRH3
SCHEMBL4383239 0.74 HRH3 (0.97) HRH3
SCHEMBL4393383 0.74 HRH3 (1.00) HRH3
SCHEMBL4394052 0.74 HRH3 (0.73) HRH3

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 452/4885HRH1 547/4885CYP3A4 3442/4885

“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.