SCHEMBL22482200

SCHEMBL22482200

COC(=O)C(=O)N1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 1/20 0.50
RYR2 Q92736 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.41
HTR1A P08908 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 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
SCHEMBL261394 0.81 SMN1; SMN2 (0.43) RYR2GAALMNAMAPT
SCHEMBL9353116 0.81 GAA (0.42) RYR2GAAMAPT
SCHEMBL13601717 0.77 MAPT (0.59) TDP1CYP1A2KDM4ETP53HTR1A
SCHEMBL303850 0.76 TDP1 (0.54) TDP1CYP1A2KDM4EATMTP53
SCHEMBL23673842 0.76 ALDH1A1 (0.52)
SCHEMBL17427968 0.76 CA2 (0.45) RYR2GAAPOLBEPHX2
SCHEMBL2956307 0.75 TDP1 (0.59) TDP1CYP1A2KDM4EHTR1APOLB
SCHEMBL13607424 0.74 HRH2 (0.44) HTR1A
SCHEMBL13601724 0.74 MAPT (0.44) TDP1CYP1A2KDM4EATMHTR1A
SCHEMBL10121133 0.73 CYP1A2 (0.64) TDP1CYP1A2HTR1AGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230108408-A1 OXALAMIDE SUBSTITUTED HETEROCYCLIC COMPOUNDS AS MODULATORS OF THE ARYL HYDROCARBON RECEPTOR (AHR) PHENEX PHARMACEUTICALS AG (DE) 2023-04-06 US disclosed
EP-4093739-A1 OXALAMIDE SUBSTITUTED HETEROCYCLIC COMPOUNDS AS MODULATORS OF THE ARYL HYDROCARBON RECEPTOR (AHR) Phenex Pharmaceuticals AG (DE) 2022-11-30 EP disclosed
WO-2021148628-A1 OXALAMIDE SUBSTITUTED HETEROCYCLIC COMPOUNDS AS MODULATORS OF THE ARYL HYDROCARBON RECEPTOR (AHR) PHENEX PHARMACEUTICALS AG (DE) 2021-07-29 WO disclosed
WO-2021148628-A1 OXALAMIDE SUBSTITUTED HETEROCYCLIC COMPOUNDS AS MODULATORS OF THE ARYL HYDROCARBON RECEPTOR (AHR) PHENEX PHARMACEUTICALS AG (DE) 2021-07-29 WO disclosed
US-20200308349-A1 FLUROCHEMICAL PIPERAZINE CARBOXAMIDES 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-10-01 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-20230108408-A1 OXALAMIDE SUBSTITUTED HETEROCYCLIC COMPOUNDS AS MODULATORS OF THE ARYL HYDROCARBON RECEPTOR (AHR) AHR, ARNT, HCAR1 TDP1 4022/4885CYP1A2 75/4885RYR2 1165/4885

“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.