SCHEMBL20128900

SCHEMBL20128900

CC(C)(C)OC(=O)N1CCN(CCCO[C@H]2C[C@H](Oc3ccc(-c4ccc5c(c4)[nH]c4ccncc45)cn3)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 8/20 0.43
EPHX2 P34913 4/20 0.38
CYP4F2 P78329 1/20 0.38
ALK Q9UM73 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
ATM Q13315 1/20 0.37
ATR Q13535 1/20 0.37
MAPT P10636 1/20 0.37
PIK3CD O00329 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL20120729 1.00 TBK1 (0.43) TBK1EPHX2CYP4F2ALKHRH2
SCHEMBL20120731 1.00 TBK1 (0.43) TBK1EPHX2CYP4F2ALKHRH2
SCHEMBL29547748 1.00 TBK1 (0.43) TBK1EPHX2CYP4F2ALKHRH2
SCHEMBL20128893 0.96 TBK1 (0.44) TBK1CYP4F2ALKPIK3CDGPR119
SCHEMBL22906608 0.87 ATM (0.38) CYP4F2HRH2HRH1PIK3CAMTOR
SCHEMBL27097880 0.86 TBK1 (0.39) TBK1EPHX2CYP4F2HRH2HRH1
SCHEMBL20120441 0.85 GPR119 (0.51) TBK1PIK3CDGPR119
SCHEMBL31411045 0.85 GPR119 (0.51) TBK1PIK3CDGPR119
SCHEMBL20120443 0.85 GPR119 (0.51) TBK1PIK3CDGPR119
SCHEMBL29547262 0.85 GPR119 (0.51) TBK1PIK3CDGPR119

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-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 US disclosed
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 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-11912699-B2 Tau-protein targeting compounds and associated MAPT, VHL, CRBN TBK1 195/4885EPHX2 3301/4885CYP4F2 4477/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 TBK1 406/4885EPHX2 2978/4885CYP4F2 4640/4885

“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.