SCHEMBL25301688

SCHEMBL25301688

CC(C)(C)OC(=O)N1CC2(CCN(Cc3ccc(C(F)(F)F)cn3)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
EIF2AK4 Q9P2K8 1/20 0.44
TEAD1 P28347 1/20 0.44
RORC P51449 2/20 0.43
CYP2D6 P10635 3/20 0.43
TSHR P16473 3/20 0.43
MAPT P10636 1/20 0.43
GPR183 P32249 1/20 0.42
PRCP P42785 1/20 0.42
MGLL Q99685 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP11B2 P19099 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
CYP3A4 P08684 2/20 0.41
ACACB O00763 1/20 0.41
CYP1A2 P05177 2/20 0.40

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
SCHEMBL29497042 1.00 PPARG (0.49) PPARGPPARDPPARAEIF2AK4TEAD1
SCHEMBL20468854 0.94 RORC (0.48) PPARGPPARDPPARARORCCYP2D6
SCHEMBL25256696 0.85 PPARG (0.49) PPARGPPARDPPARATEAD1CYP2D6
SCHEMBL29497112 0.83 EIF2AK4 (0.42) PPARGPPARDPPARAEIF2AK4RORC
SCHEMBL25302142 0.83 EIF2AK4 (0.42) PPARGPPARDPPARAEIF2AK4RORC
SCHEMBL25258995 0.80 RORC (0.47) RORCCYP2D6TSHRGPR183MGLL
SCHEMBL25291826 0.80 PPARD (0.51) PPARDPPARARORCCYP2D6TSHR
SCHEMBL16625319 0.78 CYP11B2 (0.44) RORCCYP2D6GPR183CYP11B2CYP3A4
SCHEMBL26081080 0.78 MAPT (0.47) PPARGPPARDPPARAMAPTHPGD
SCHEMBL26081081 0.78 MAPT (0.47) PPARGPPARDPPARAEIF2AK4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY PPARG 2840/4885PPARD 3867/4885PPARA 3771/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY PPARG 2840/4885PPARD 3867/4885PPARA 3771/4885

“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.