SCHEMBL18925629

SCHEMBL18925629

CC(C)N1CCC(C(C)(C)N)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL13946079 1.00 CYP2D6 (0.40) CYP2D6KCNH2HRH3ALDH1A1TDP1
SCHEMBL20620367 0.88 CYP2D6 (0.34) CYP2D6KCNH2HRH3ALDH1A1TDP1
SCHEMBL14804459 0.87 HRH3 (0.46) CYP2D6KCNH2HRH3ALDH1A1TDP1
SCHEMBL4099236 0.83 HRH3 (0.50) CYP2D6KCNH2HRH3
SCHEMBL21025310 0.83 HRH3 (0.50) CYP2D6KCNH2HRH3
SCHEMBL1104717 0.83 HRH3 (0.50) CYP2D6KCNH2HRH3
SCHEMBL16285871 0.77 CYP2D6 (0.37) CYP2D6KCNH2HRH3
SCHEMBL16285874 0.77 CYP2D6 (0.37) CYP2D6KCNH2HRH3
SCHEMBL12868931 0.77 CYP2D6 (0.37) CYP2D6KCNH2HRH3
SCHEMBL23034541 0.76 HRH3 (0.38) CYP2D6KCNH2HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385065-B2 Antibacterial compounds REDX PHARMA PLC (GB) 2019-08-20 US disclosed
US-20170158708-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-06-08 US disclosed
US-20170158708-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-06-08 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 (2 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-20170158708-A1 ANTIBACTERIAL COMPOUNDS ABCC1, SLC11A2, NQO2 CYP2D6 395/4885KCNH2 2177/4885HRH3 3829/4885
US-10385065-B2 Antibacterial compounds ABCC1, SLC11A2, NQO2 CYP2D6 395/4885KCNH2 2177/4885HRH3 3829/4885

“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.