SCHEMBL25538918

SCHEMBL25538918

CCCC(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
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ RORC P51449 7/20 0.35
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ GPR183 P32249 1/20 0.33
▸ CYP11B2 P19099 1/20 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

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 0.92 ATM (0.37) ATMOPRD1OPRK1OPRM1OPRL1
SCHEMBL25538929 0.89 ATM (0.36) ATMOPRD1OPRK1RORCJAK2
SCHEMBL25538923 0.88 ATM (0.36) ATMOPRD1OPRK1RORCJAK2
SCHEMBL24170432 0.88 OPRD1 (0.41) ATMOPRD1OPRK1OPRM1OPRL1
SCHEMBL25538904 0.86 NPC1 (0.36) ATMRORCJAK2JAK1GPR183
SCHEMBL25538908 0.85 NPC1 (0.35) ATMOPRM1OPRL1RORCJAK2
SCHEMBL25538932 0.85 NPC1 (0.35) ATMRORCJAK2JAK1GPR183
SCHEMBL25538910 0.84 HTT (0.38) ATMRORCJAK2JAK1GPR183
SCHEMBL25538934 0.82 TSHR (0.37) ATMRORCJAK2JAK1GPR183
SCHEMBL25538939 0.80 NPC1 (0.38) ATMRORCJAK2JAK1GPR183

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 582/4885OPRD1 4774/4885OPRK1 4860/4885

“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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