SCHEMBL25538929

SCHEMBL25538929

CC(C)(C)CC(c1ccc(C2(N)CC2)cc1)N1CC2(CN(C(=O)OC(C)(C)C)C2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.36
▸ CYP11B2 P19099 1/20 0.34
▸ GPR183 P32249 1/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ JAK1 P23458 3/20 0.34
▸ RORC P51449 3/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ SCD5 Q86SK9 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32

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
SCHEMBL25538913 0.91 ATM (0.37) ATMCYP11B2GPR183JAK2JAK1
SCHEMBL25538923 0.89 ATM (0.36) ATMCYP11B2GPR183JAK2JAK1
SCHEMBL25538918 0.89 ATM (0.36) ATMCYP11B2GPR183JAK2JAK1
SCHEMBL24170420 0.87 ATM (0.41) ATMJAK2JAK1NPC1ALDH1A1
SCHEMBL25538904 0.87 NPC1 (0.36) ATMCYP11B2GPR183JAK2JAK1
SCHEMBL25538908 0.86 NPC1 (0.35) ATMJAK2JAK1RORCGPR119
SCHEMBL25538932 0.86 NPC1 (0.35) ATMGPR183JAK2JAK1RORC
SCHEMBL25538910 0.85 HTT (0.38) ATMCYP11B2GPR183JAK2JAK1
SCHEMBL25538934 0.83 TSHR (0.37) ATMCYP11B2GPR183JAK2JAK1
SCHEMBL25538939 0.81 NPC1 (0.38) ATMCYP11B2GPR183JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 — — 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-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B ATM 582/4885CYP11B2 766/4885GPR183 3843/4885

“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.

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