SCHEMBL22236794

SCHEMBL22236794

CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CN2CCN(c3cc(-c4ccc(F)cc4)cnn3)CC2)[C@H](F)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.46
▸ CYP11B2 P19099 16/20 0.45
▸ CYP11B1 P15538 2/20 0.45
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41

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
SCHEMBL22236792 0.82 CYP11B2 (0.41) USP30CYP11B2CYP11B1HDAC1HDAC2
SCHEMBL18502872 0.79 CYP11B2 (0.62) CYP11B2
SCHEMBL18791088 0.79 CKS1B (0.49) USP30HDAC1HDAC2
SCHEMBL20513565 0.74 CYP11B2 (0.71) CYP11B2CYP11B1
SCHEMBL20513563 0.74 CYP11B2 (0.71) CYP11B2CYP11B1
SCHEMBL17207553 0.73 CYP11B2 (0.75) CYP11B2
SCHEMBL18791027 0.72 CYP11B2 (0.48) CYP11B2CYP11B1
SCHEMBL29673246 0.69 DNMT3A (0.46) USP30HDAC1HDAC2
SCHEMBL29673228 0.69 DNMT3A (0.46) USP30HDAC1HDAC2
SCHEMBL20794795 0.69 DNMT3A (0.46) USP30HDAC1HDAC2

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-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 — — 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-10717731-B2 Nitrogen-containing aromatic heterocyclic compound REN, NR3C2, NR5A1 USP30 3072/4885CYP11B2 8/4885CYP11B1 6/4885

“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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