SCHEMBL20148196

SCHEMBL20148196

CCCOC1CCN(c2ccc(C(N)=O)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.58
KDM1A O60341 1/20 0.48
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
JAK3 P52333 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
PARP1 P09874 1/20 0.44

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
SCHEMBL30754057 0.84 HRH3 (0.64) HRH3KDM1AJAK2JAK1JAK3
SCHEMBL20148197 0.81 OPRM1 (0.49) HRH3KDM1AOPRM1OPRK1PARP1
SCHEMBL31752311 0.80 HRH3 (0.53) HRH3KDM1AJAK2JAK1JAK3
SCHEMBL19011600 0.78 HRH3 (0.59) HRH3KDM1AJAK2JAK1JAK3
SCHEMBL31747374 0.78 HRH3 (0.57) HRH3KDM1AJAK2JAK1JAK3
SCHEMBL6140027 0.78 HRH3 (0.58) HRH3KDM1AJAK2JAK1JAK3
SCHEMBL14843687 0.78 HRH3 (0.58) HRH3KDM1AJAK2JAK1JAK3
SCHEMBL30754007 0.78 HRH3 (0.58) HRH3KDM1AJAK2JAK1JAK3
SCHEMBL30588290 0.77 KDM1A (0.62) HRH3KDM1AJAK2JAK1JAK3
Hydrochloric Acid SCHEMBL5009902 0.77 HRH3 (0.57) HRH3KDM1AJAK2JAK1JAK3

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 3405/4885KDM1A 3027/4885JAK2 888/4885

“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.