SCHEMBL20148210

SCHEMBL20148210

COC1CCN(c2ncc(C(N)=O)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.51
HRH3 Q9Y5N1 11/20 0.46
EGFR P00533 2/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
KCNQ4 P56696 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
DGAT2 Q96PD7 1/20 0.40

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
SCHEMBL24880754 0.87 POLB (0.56) AOC3HRH3POLBMAPTKCNQ3
SCHEMBL30754057 0.82 HRH3 (0.64) HRH3
SCHEMBL24880446 0.81 HRH3 (0.47) AOC3HRH3POLBMAPTKCNQ3
SCHEMBL31104582 0.80 AOC3 (0.53) AOC3EGFRKCNQ3KCNQ2KCNQ4
SCHEMBL24126684 0.79 HRH3 (0.44) HRH3POLBMAPT
Hydrochloric Acid SCHEMBL27796614 0.78 HRH3 (0.43) HRH3POLB
SCHEMBL17411280 0.78 AOC3 (0.51) AOC3EGFR
SCHEMBL30588209 0.78 MAPK8 (0.45) HRH3POLB
SCHEMBL20917117 0.77 POLB (0.50) AOC3POLBMAPT
Hydrochloric Acid SCHEMBL2189524 0.77 AOC3 (0.50) AOC3HRH3POLBDGAT2

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-20180134688-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 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-20180134688-A1 NOVEL COMPOUNDS RIPK2, RIPK1, RIPK4 AOC3 4660/4885HRH3 3405/4885EGFR 3844/4885

“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.