SCHEMBL29796854

SCHEMBL29796854

COC(=O)N1CC2CC(c3nc(-c4cc5c(cc4F)S(=O)(=O)C[C@H](N)C(=O)N5Cc4ccc(OC(F)(F)F)cc4)no3)(C2)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 1/20 0.33
▸ P2RY1 P47900 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ IDH1 O75874 2/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ AMPD2 Q01433 1/20 0.30
▸ SCN10A Q9Y5Y9 1/20 0.30

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
SCHEMBL26961836 1.00 KCNN4 (0.33) KCNN4P2RY1GRM2IDH1HCRTR1
SCHEMBL29796802 0.95 — —
SCHEMBL26961961 0.95 — —
SCHEMBL31142813 0.92 S1PR1 (0.33) —
SCHEMBL26961625 0.90 — —
SCHEMBL29796928 0.90 — —
SCHEMBL26961606 0.87 CA2 (0.32) P2RY1GRM2IDH1HCRTR1HCRTR2
SCHEMBL29797047 0.87 THRB (0.35) —
SCHEMBL26961780 0.87 THRB (0.35) —
SCHEMBL29796333 0.87 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 — — US claimed
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 — — 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-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 KCNN4 871/4885P2RY1 1146/4885GRM2 409/4885

“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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