SCHEMBL26130710

SCHEMBL26130710

CC(C)(C)OC(=O)N1CC=C(c2ccc(Br)c(F)c2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.55
GRM1 Q13255 11/20 0.53
GRM5 P41594 10/20 0.53
HTR6 P50406 1/20 0.48
NAMPT P43490 1/20 0.47
JAK1 P23458 1/20 0.46
CNR1 P21554 1/20 0.44
CDK9 P50750 2/20 0.44
CCNT1 O60563 1/20 0.44
SCN9A Q15858 1/20 0.42

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
SCHEMBL24669481 0.86 PDK4 (0.55) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL30112465 0.83 PDK4 (0.54) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL1199843 0.83 PDK4 (0.54) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL17268510 0.82 PDK4 (0.68) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL29707360 0.81 PDK4 (0.53) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL22391820 0.81 PDK4 (0.53) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL31444090 0.81 PDK4 (0.55) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL22957461 0.81 PDK4 (0.53) PDK4GRM1GRM5HTR6NAMPT
SCHEMBL29055970 0.81 ALDH1A1 (0.40) CNR1
SCHEMBL14699163 0.81 PDK4 (0.53) PDK4GRM1GRM5HTR6NAMPT

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-20260124309-A1 STAT6 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2026-05-07 US disclosed
WO-2025049820-A1 STAT6 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed
EP-4506344-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF Bebetter Med Inc. (CN) 2025-02-12 EP disclosed
US-20250034116-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF BEBETTER MED INC. (CN) 2025-01-30 US disclosed
CN-116615417-B 1, 4-Diheterocyclic group substituted aromatic ring or aromatic heterocyclic compound and application thereof 广州必贝特医药股份有限公司 2024-05-14 CN disclosed
WO-2023185821-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2023-10-05 WO disclosed
CN-116615417-A 1, 4-diheterocycle substituted aromatic ring or aromatic heterocyclic compound and application thereof 广州必贝特医药股份有限公司 2023-08-18 CN 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-20260124309-A1 STAT6 DEGRADERS AND USES THEREOF STAT6, NCOR2, NCOR1 PDK4 2483/4885GRM1 782/4885GRM5 1981/4885
US-20250034116-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF CYP46A1, CYP4A22, CYP2C19 PDK4 1152/4885GRM1 3548/4885GRM5 3105/4885

“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.