SCHEMBL25538934

SCHEMBL25538934

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ JAK2 O60674 3/20 0.36
▸ JAK1 P23458 3/20 0.36
▸ ATM Q13315 2/20 0.35
▸ GPR183 P32249 1/20 0.35
▸ CHRM2 P08172 3/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ RORC P51449 2/20 0.34
▸ SCD5 Q86SK9 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ ACACB O00763 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
SCHEMBL25538910 0.89 HTT (0.38) TSHRALOX15CYP11B2HTTNPC1
SCHEMBL24170405 0.87 ALDH1A1 (0.45) TSHRALOX15HTTNPC1ALDH1A1
SCHEMBL25538923 0.84 ATM (0.36) TSHRALOX15CYP11B2HTTNPC1
SCHEMBL25538913 0.84 ATM (0.37) TSHRALOX15CYP11B2HTTNPC1
SCHEMBL25538939 0.83 NPC1 (0.38) CYP11B2HTTNPC1ALDH1A1MAPT
SCHEMBL25538929 0.83 ATM (0.36) TSHRALOX15CYP11B2HTTNPC1
SCHEMBL25538918 0.82 ATM (0.36) CYP11B2HTTNPC1ALDH1A1MAPT
SCHEMBL25538943 0.81 ALDH1A1 (0.39) CYP11B2HTTNPC1ALDH1A1MAPT
SCHEMBL25538948 0.81 ALDH1A1 (0.39) CYP11B2HTTNPC1ALDH1A1MAPT
SCHEMBL25538904 0.81 NPC1 (0.36) CYP11B2HTTNPC1ALDH1A1MAPT

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 TSHR 4199/4885ALOX15 4548/4885CYP11B2 766/4885

“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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