SCHEMBL29958339

SCHEMBL29958339

O=C(OC1CNC1)C1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.36
CHRNB2 P17787 4/20 0.36
CHRNA4 P43681 4/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA7 P36544 3/20 0.36
TNF P01375 2/20 0.32
APOL1 O14791 1/20 0.32
PIK3CD O00329 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL5360540 0.84 PDE4D (0.36) PDE4DTNFAPOL1PIK3CDBACE1
SCHEMBL9906285 0.80 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2978095 0.80 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL31452884 0.79 GABRP (0.42) PDE4DAPOL1BACE1
SCHEMBL9906292 0.74 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2982411 0.74 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL27795892 0.73 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL28596130 0.72 GABRA5 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL28596132 0.72 GABRA5 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30142098 0.72 CHRM2 (0.34) PDE4DPIK3CD

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-12116343-B2 Inhibitors of APOL1 and methods of using same VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-10-15 US disclosed
US-20220340523-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2022-10-27 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 (2 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-20220340523-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, NPC1L1 PDE4D 4330/4885CHRNB2 4616/4885CHRNA4 4879/4885
US-12116343-B2 Inhibitors of APOL1 and methods of using same APOL1, APOB, NPC1L1 PDE4D 4330/4885CHRNB2 4616/4885CHRNA4 4879/4885

“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.