SCHEMBL31617837

SCHEMBL31617837

CC(C)(C)OC(=O)N(CCCN(C[C@H]1C[C@@H](n2cc(-c3nc(Cc4ccccc4)cs3)c3c(N)nc(Cl)nc32)[C@@H]2OC(C)(C)O[C@H]12)C(=O)OC(C)(C)C)CCc1ccccc1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA4 P43681 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
SCHEMBL31617891 0.92 SRC (0.37) —
SCHEMBL31617905 0.90 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31617920 0.87 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31617913 0.87 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31617928 0.86 NT5E (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30941588 0.84 ALDH1A1 (0.33) —
SCHEMBL31617982 0.84 SRC (0.36) —
SCHEMBL30941755 0.82 SRC (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31617971 0.82 SRC (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31617995 0.82 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA4

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-20250188110-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2025-06-12 — — 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-20250188110-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION KMT5A, KMT5B, KMT5C CHRNB2 2708/4885CHRNB4 1686/4885CHRNA3 1080/4885

“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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