SCHEMBL18890841

SCHEMBL18890841

COc1ccc2c(c1CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)OCC2=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ PDE4B Q07343 5/20 0.38
▸ TBK1 Q9UHD2 1/20 0.36
▸ SETD7 Q8WTS6 1/20 0.36
▸ GPR119 Q8TDV5 6/20 0.36
▸ PDE11A Q9HCR9 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ PDE4A P27815 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ SMARCA2 P51531 1/20 0.35
▸ SMARCA4 P51532 1/20 0.35
▸ PBRM1 Q86U86 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ STS P08842 1/20 0.34

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
SCHEMBL18890837 0.89 SMARCA2 (0.40) TBK1SETD7GPR119SMARCA2SMARCA4
SCHEMBL18864000 0.88 PDE4B (0.39) USP30ROCK2PDE4BGPR119PDE11A
SCHEMBL18864002 0.88 PDE4B (0.39) USP30ROCK2PDE4BGPR119PDE11A
SCHEMBL18864022 0.88 MAPT (0.35) ALDH1A1
SCHEMBL18864027 0.88 MAPT (0.35) ALDH1A1
SCHEMBL18864020 0.88 MAPT (0.35) ALDH1A1
SCHEMBL14734906 0.85 CHRM2 (0.41) PDE4BTBK1SETD7GPR119PDE11A
SCHEMBL14735393 0.79 GPR119 (0.43) USP30PDE4BGPR119PDE11APDE10A
SCHEMBL18890883 0.79 PDE4B (0.41) USP30ROCK2PDE4BGPR119PDE4A
SCHEMBL18890882 0.79 PDE4B (0.41) USP30ROCK2PDE4BGPR119PDE4A

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-20170145005-A1 KINASE INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2017-05-25 — — 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-20170145005-A1 KINASE INHIBITOR PIM3, PIM1, PIM2 USP30 2703/4885ROCK2 1397/4885PDE4B 2887/4885

“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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