SCHEMBL26847837

SCHEMBL26847837

CC(=O)c1nccc2[nH]c(-c3cc(Cl)c(C4(C)CC4)cc3C)cc(=O)c12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ DYRK1A Q13627 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
SCHEMBL26847838 0.95 ABL1 (0.33) PDE3BPDE3AABL1
SCHEMBL26847856 0.92 ABL1 (0.31) PDE3BPDE3AABL1
SCHEMBL26847857 0.92 ABL1 (0.31) PDE3BPDE3AABL1
SCHEMBL26606905 0.91 ABL1 (0.33) ABL1
SCHEMBL30573056 0.91 ABL1 (0.33) ABL1
SCHEMBL26676114 0.88 ABL1 (0.33) ABL1
SCHEMBL30695393 0.88 ABL1 (0.33) ABL1
SCHEMBL30695325 0.88 ABL1 (0.33) ABL1
SCHEMBL26676159 0.88 ABL1 (0.33) ABL1
SCHEMBL30695293 0.87 ABL1 (0.33) ABL1

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-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — 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-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 PDE3B 517/4885PDE3A 513/4885ABL1 739/4885

“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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