SCHEMBL20733299

SCHEMBL20733299

CCN1CCCNc2nc(N3CCC[C@H]3C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 1/20 0.39
▸ SMPD3 Q9NY59 2/20 0.38
▸ ASIC3 Q9UHC3 1/20 0.35
▸ CHRM4 P08173 2/20 0.34
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ CDC42BPA Q5VT25 2/20 0.33
▸ CDC42BPB Q9Y5S2 2/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ AR P10275 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ JAK3 P52333 1/20 0.32
▸ SYK P43405 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32

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
SCHEMBL20733270 0.84 PDE10A (0.33) KDM4EMAPT
SCHEMBL19670142 0.74 MAP4K4 (0.42) —
SCHEMBL16775802 0.74 SMN1; SMN2 (0.36) KDM4EMAPT
SCHEMBL1841385 0.69 KCNH2 (0.39) —
SCHEMBL19670180 0.69 HRH3 (0.34) HRH3KDM4E
SCHEMBL19699029 0.68 MEN1 (0.34) —
SCHEMBL20733150 0.68 PTGER4 (0.39) —
SCHEMBL19670139 0.66 MAP4K4 (0.37) —
SCHEMBL1816731 0.65 GAK (0.38) —
SCHEMBL5005127 0.64 JAK3 (0.52) SMPD3ASIC3CHRM4ROCK2ROCK1

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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — 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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 EGLN2 773/4885SMPD3 3204/4885ASIC3 4079/4885

“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.

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