SCHEMBL15329969

SCHEMBL15329969

CC(C)(C)OC(=O)N1CCCc2cc(B(O)O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
BRD4 O60885 1/20 0.50
MPO P05164 1/20 0.48
HSD17B10 Q99714 1/20 0.44
GPR119 Q8TDV5 4/20 0.40
CREBBP Q92793 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DHODH Q02127 1/20 0.39
NOTUM Q6P988 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
ESR2 Q92731 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7491697 0.92 GPR119 (0.46) KDM4EBRD4MPOGPR119DHODH
SCHEMBL29958326 0.92 GPR119 (0.46) KDM4EBRD4MPOGPR119DHODH
SCHEMBL17799889 0.90 BRD4 (0.43) KDM4EBRD4MPOHSD17B10CREBBP
SCHEMBL21428260 0.83 KDM4E (0.73) KDM4EBRD4MPOHSD17B10ALDH1A1
SCHEMBL3653863 0.83 ESR2 (0.55) KDM4EBRD4MPOHSD17B10PDK1
SCHEMBL30674388 0.83 ESR2 (0.55) KDM4EBRD4MPOHSD17B10PDK1
SCHEMBL18216843 0.82 KDM4E (0.53) KDM4EBRD4MPOHSD17B10GPR119
SCHEMBL380901 0.82 KDM4E (0.53) KDM4EBRD4MPOHSD17B10CREBBP
SCHEMBL6846584 0.82 NR1H2 (0.56) KDM4EBRD4MPOHSD17B10GPR119
SCHEMBL31552767 0.82 NOTUM (0.55) KDM4EBRD4MPOHSD17B10GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3475262-B1 BICYCLIC IMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RENAL DISEASE, CARDIOVASCULAR DISEASES AND FIBROTIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2021-03-24 EP disclosed
US-10858342-B2 Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-08 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 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-10858342-B2 Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic diseases REN, AGTR1, AGTR2 KDM4E 1063/4885BRD4 31/4885MPO 1739/4885

“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.