SCHEMBL27329326

SCHEMBL27329326

CC(C)[C@@H](C(=O)O)N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
HRH3 Q9Y5N1 6/20 0.41
USP30 Q70CQ3 1/20 0.40
ATM Q13315 1/20 0.39
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL23298092 0.94 TSHR (0.46) TSHRALOX15GRIN2BGRIN2CHRH3
SCHEMBL23298096 0.94 TSHR (0.46) TSHRALOX15GRIN2BGRIN2CHRH3
SCHEMBL27330073 0.93 USP30 (0.48) TSHRALOX15GRIN2BGRIN2CHRH3
SCHEMBL27330081 0.93 USP30 (0.48) TSHRALOX15GRIN2BGRIN2CHRH3
SCHEMBL27330087 0.93 USP30 (0.48) TSHRALOX15GRIN2BGRIN2CHRH3
SCHEMBL27329426 0.92 GRIN2B (0.43) TSHRALOX15GRIN2BGRIN2CHRH3
SCHEMBL27329709 0.91 GRIN2B (0.44) TSHRALOX15GRIN2BGRIN2CHRH3
SCHEMBL23297826 0.87 USP30 (0.50) TSHRALOX15GRIN2BGRIN2CHRH3
SCHEMBL23297828 0.87 USP30 (0.50) TSHRALOX15GRIN2BGRIN2CHRH3
SCHEMBL23295358 0.87 USP30 (0.50) TSHRALOX15GRIN2BGRIN2CHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250206761-A1 HALOINDOLE MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2025-06-26 US disclosed
EP-4532503-A1 HALOINDOLE MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-04-09 EP disclosed
CN-119301132-A Halogenated indole macrocyclic compounds for the treatment of cancer 豪夫迈·罗氏有限公司 2025-01-10 CN disclosed
WO-2023232776-A1 HALOINDOLE MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2023-12-07 WO disclosed
WO-2023232776-A1 HALOINDOLE MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2023-12-07 WO 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-20250206761-A1 HALOINDOLE MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2, HRAS TSHR 457/4885ALOX15 3506/4885GRIN2B 4373/4885

“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.