SCHEMBL2809259

SCHEMBL2809259

CC(C)(C)OC(=O)N1CCc2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.51
▸ NR1H2 P55055 2/20 0.50
▸ MAP3K5 Q99683 2/20 0.40
▸ USP30 Q70CQ3 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ ROCK1 Q13464 1/20 0.37
▸ ABHD6 Q9BV23 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ HDAC1 Q13547 1/20 0.35
▸ 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
SCHEMBL2803361 0.88 ESR2 (0.52) ESR2NR1H2MAP3K5USP30MAPK1
SCHEMBL31335644 0.85 ESR2 (0.48) ESR2NR1H2MAP3K5USP30MAPK1
SCHEMBL19949203 0.81 ESR2 (0.47) ESR2NR1H2MAP3K5USP30MAPK1
SCHEMBL25934807 0.81 ESR2 (0.46) ESR2NR1H2USP30MAPK1HPGDS
SCHEMBL2515678 0.81 NR1H2 (0.61) ESR2NR1H2MAP3K5USP30MAPK1
SCHEMBL29964782 0.81 NR1H2 (0.61) ESR2NR1H2MAP3K5USP30MAPK1
SCHEMBL587184 0.81 ESR2 (0.62) ESR2NR1H2MAP3K5USP30MAPK1
SCHEMBL29676899 0.81 ESR2 (0.62) ESR2NR1H2MAP3K5USP30MAPK1
SCHEMBL19948707 0.81 ESR2 (0.46) ESR2NR1H2MAP3K5USP30MAPK1
SCHEMBL30935036 0.79 GPR119 (0.33) ESR2NR1H2USP30ROCK1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司(CN) 2023-01-13 — — CN disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 — — WO disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 — — 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 ESR2 1342/4885NR1H2 474/4885MAP3K5 1604/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 ESR2 683/4885NR1H2 511/4885MAP3K5 1050/4885

“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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