SCHEMBL20148203

SCHEMBL20148203

COC1CCN(c2cnc(C(N)=O)cn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.63
SIRT6 Q8N6T7 1/20 0.45
EED O75530 1/20 0.43
KDM4E B2RXH2 1/20 0.42
IKBKB O14920 1/20 0.42
MAP4K4 O95819 1/20 0.41
SMO Q99835 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
SCHEMBL24213969 0.90 HRH3 (0.52) HRH3KDM4EMAP4K4SMO
SCHEMBL2221259 0.82 HRH3 (0.47) HRH3KDM4ESMO
SCHEMBL30754057 0.80 HRH3 (0.64) HRH3
SCHEMBL30588353 0.79 HRH3 (0.52) HRH3SIRT6EEDKDM4E
SCHEMBL27253445 0.79 HRH3 (0.52) HRH3SIRT6EEDKDM4ESMO
SCHEMBL5041190 0.79 HRH3 (0.50) HRH3SIRT6EEDKDM4E
SCHEMBL2219386 0.78 SMO (0.48) HRH3KDM4ESMO
SCHEMBL20148206 0.78 MAP4K4 (0.43) HRH3KDM4EMAP4K4
SCHEMBL14843944 0.78 HRH3 (1.00) HRH3
SCHEMBL31752465 0.78 HRH3 (0.54) HRH3SIRT6EEDKDM4E

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 HRH3 3405/4885SIRT6 2014/4885EED 3645/4885

“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.