SCHEMBL29969656

SCHEMBL29969656

CC(C)(C)OC(=O)N1CC2CN(c3ncc(Br)cc3[N+](=O)[O-])CC2C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.41
OPRK1 P41145 5/20 0.41
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NR1H2 P55055 1/20 0.39
MET P08581 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
GPR119 Q8TDV5 5/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
USP30 Q70CQ3 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL26590306 1.00 PDE10A (0.41) PDE10AOPRK1KCNH2ALDH1A1LMNA
SCHEMBL22712090 0.86 ALDH1A1 (0.52) OPRK1KCNH2ALDH1A1LMNAMAPT
SCHEMBL30323005 0.86 ALDH1A1 (0.52) OPRK1KCNH2ALDH1A1LMNAMAPT
SCHEMBL29970093 0.85 GPR119 (0.40) OPRK1KCNH2ALDH1A1GPR119MAPK1
SCHEMBL27154515 0.83 OPRK1 (0.41) OPRK1ALDH1A1LMNAMAPTMAPK1
SCHEMBL29968748 0.83 KCNH2 (0.41) OPRK1KCNH2ALDH1A1LMNAMAPT
SCHEMBL26590303 0.83 KCNH2 (0.41) OPRK1KCNH2ALDH1A1LMNAMAPT
SCHEMBL26127556 0.82 OPRK1 (0.39) OPRK1ALDH1A1LMNAMAPTMAPK1
SCHEMBL29503589 0.81 GPR119 (0.46) KCNH2ALDH1A1LMNAMAPTMET
SCHEMBL28675410 0.81 GPR119 (0.46) KCNH2ALDH1A1LMNAMAPTMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 EP disclosed
US-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD HOLDING CAYMAN LIMITED (KY) 2022-10-06 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-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 PDE10A 1423/4885OPRK1 3281/4885KCNH2 4535/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 PDE10A 1423/4885OPRK1 3281/4885KCNH2 4535/4885

“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.