SCHEMBL20759713

SCHEMBL20759713

CSN1CC2CCC(C1)N2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNA3 P32297 2/20 0.37
▸ CHRNA4 P43681 2/20 0.37
▸ CHRNB3 Q05901 2/20 0.37
▸ CHRNA6 Q15825 2/20 0.37
▸ HSD11B1 P28845 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
SCHEMBL20071189 0.86 — —
SCHEMBL19418817 0.74 CHRNB2 (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14876645 0.69 — —
SCHEMBL21730404 0.69 — —
SCHEMBL17188945 0.69 — —
SCHEMBL50733 0.69 — —
Hydrochloric Acid SCHEMBL611862 0.67 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL271156 0.67 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23182947 0.65 ALDH1A1 (0.30) —
SCHEMBL178640 0.65 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303509-A1 SULFONAMIDO DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. 2023-09-28 — — US disclosed
US-10738030-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-08-11 — — US disclosed
EP-3203840-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2020-08-05 — — EP disclosed
US-20190055220-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2019-02-21 — — 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 (3 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-20230303509-A1 SULFONAMIDO DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS CDK2, CCNK, CCNI CHRNB2 4818/4885CHRNA3 4883/4885CHRNA4 4885/4885
US-10738030-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SCNN1G CHRNB2 1050/4885CHRNA3 1331/4885CHRNA4 1546/4885
US-20190055220-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SCNN1G CHRNB2 1050/4885CHRNA3 1331/4885CHRNA4 1546/4885

“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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