SCHEMBL20148208

SCHEMBL20148208

C=COC1CCN(c2ncc(O)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.41
KDM4E B2RXH2 1/20 0.34
CYP2C19 P33261 1/20 0.34
SCD O00767 5/20 0.34
BTK Q06187 2/20 0.32
JAK3 P52333 1/20 0.32
HCRTR2 O43614 1/20 0.32
RIPK1 Q13546 1/20 0.31
ACACB O00763 1/20 0.31
POLB P06746 1/20 0.30
DEGS1 O15121 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
SCHEMBL31104582 0.79 AOC3 (0.53) AOC3KDM4ECYP2C19JAK3ACACB
SCHEMBL20148202 0.76 GAA (0.33) POLB
SCHEMBL19864978 0.74 SMO (0.43) AOC3KDM4ECYP2C19POLB
SCHEMBL28539492 0.74 HRH3 (0.40) AOC3KDM4ECYP2C19SCDPOLB
SCHEMBL20148207 0.73 AOC3 (0.40) AOC3HCRTR2ACACB
SCHEMBL28390577 0.72 KDM4E (0.40) AOC3KDM4ECYP2C19ACACBDEGS1
SCHEMBL28385258 0.72 AOC3 (0.42) AOC3KDM4EHCRTR2
SCHEMBL28643581 0.71 AOC3 (0.42) AOC3KDM4ECYP2C19ACACB
SCHEMBL28660607 0.71 AOC3 (0.42) AOC3KDM4ECYP2C19ACACB
SCHEMBL15952948 0.69 ALDH1A1 (0.44) POLB

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 4660/4885KDM4E 2958/4885CYP2C19 4834/4885

“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.