SCHEMBL4691685

SCHEMBL4691685

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
KDM4E B2RXH2 1/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
BRD4 O60885 2/20 0.52
MPO P05164 1/20 0.50
HSD17B10 Q99714 1/20 0.46
CREBBP Q92793 2/20 0.45
CNR2 P34972 1/20 0.43
KCNQ2 O43526 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL31552767 1.00 NOTUM (0.55) NOTUMKDM4EHDAC1HDAC6PDK1
SCHEMBL16603725 0.92 NOTUM (0.65) NOTUMBRD4CNR2GPR119
SCHEMBL30147443 0.92 NOTUM (0.65) NOTUMBRD4CNR2GPR119
SCHEMBL17795396 0.90 BRD4 (0.45) NOTUMKDM4EHDAC1HDAC6PDK1
SCHEMBL3653863 0.85 ESR2 (0.55) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL21428260 0.85 KDM4E (0.73) NOTUMKDM4EPDK1PDK2PDK3
SCHEMBL30674388 0.85 ESR2 (0.55) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL6752845 0.85 NOTUM (0.59) NOTUMKDM4EHDAC1HDAC6PDK1
SCHEMBL18216843 0.84 KDM4E (0.53) NOTUMKDM4EBRD4MPOHSD17B10
SCHEMBL5781463 0.84 KDM4E (0.53) NOTUMKDM4EPDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025077767-A1 NOVEL I-TYPE TOPOISOMERASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊维康医药有限责任公司 2025-04-17 WO disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
EP-1912989-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007018998-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 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 (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-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators GRM2, GRM1, GRIN2B NOTUM 3896/4885KDM4E 1882/4885HDAC1 298/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B NOTUM 3896/4885KDM4E 1882/4885HDAC1 298/4885

“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.