SCHEMBL3599876

SCHEMBL3599876

CC(C)(C)OC(=O)N1CC(Cn2cc(C3OC(C)(C)C(C)(C)O3)cn2)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ PARG Q86W56 2/20 0.37
▸ USP30 Q70CQ3 3/20 0.36
▸ JAK3 P52333 1/20 0.35
▸ RORC P51449 2/20 0.34
▸ GPR119 Q8TDV5 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
SCHEMBL28341902 0.82 DDB1 (0.41) NR1H2USP30RORCGPR119
SCHEMBL12101515 0.82 FFAR1 (0.51) NR1H2NAMPTPARGUSP30JAK3
SCHEMBL15272864 0.80 SRC (0.31) —
SCHEMBL25193692 0.79 JAK3 (0.43) NR1H2NAMPTPARGUSP30JAK3
SCHEMBL3597987 0.79 NR1H2 (0.43) NR1H2NAMPTPARGUSP30JAK3
SCHEMBL31546905 0.79 NR1H2 (0.40) NR1H2NAMPTPARGUSP30JAK3
SCHEMBL18764769 0.78 L3MBTL1 (0.45) NR1H2NAMPTUSP30JAK3GPR119
SCHEMBL31553919 0.78 KDM4E (0.35) JAK3
SCHEMBL15273525 0.78 TBK1 (0.30) NR1H2NAMPT
SCHEMBL15647731 0.78 ROCK2 (0.39) NR1H2USP30RORCGPR119

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 — — EP claimed
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 — — US disclosed
EP-2084162-B1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 — — EP disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 — — US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 — — US disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 — — US disclosed
EP-2084162-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-08-05 — — EP disclosed
EP-2081937-A2 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-07-29 — — EP disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 — — WO disclosed
WO-2008051808-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 — — WO 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 (2 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-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS MAP4K5, MAPKAPK5, MAP4K2 NR1H2 1926/4885NAMPT 1983/4885PARG 4809/4885
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS MAP3K20, TTK, PRKACB NR1H2 2739/4885NAMPT 1838/4885PARG 3629/4885

“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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