SCHEMBL20298601

SCHEMBL20298601

O=C(O)N1C[C@@H]2[C@H](C1)[C@H]1CC[C@@H]2N1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 6/20 0.34
▸ CHRNA3 P32297 6/20 0.34
▸ CHRNA4 P43681 6/20 0.34
▸ CHRNB3 Q05901 6/20 0.34
▸ CHRNA6 Q15825 6/20 0.34
▸ HSD11B1 P28845 3/20 0.32
▸ HSD11B2 P80365 1/20 0.32

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
SCHEMBL20298564 1.00 CHRNB2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL20298582 0.98 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13733916 0.82 — —
SCHEMBL6127508 0.77 HSD11B1 (0.42) CHRNB2CHRNA3CHRNA4HSD11B1HSD11B2
SCHEMBL6127513 0.77 HSD11B1 (0.42) CHRNB2CHRNA3CHRNA4HSD11B1HSD11B2
SCHEMBL19948600 0.73 CHRNB2 (0.61) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1404444 0.73 CHRNB2 (0.61) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20588744 0.72 HSD11B1 (0.31) HSD11B1HSD11B2
SCHEMBL6711523 0.72 HSD11B1 (0.31) HSD11B1HSD11B2
SCHEMBL20588745 0.72 HSD11B1 (0.31) HSD11B1HSD11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200085791-A1 [(PHENYLSULFONYL)OCTAHYDRO-EPIMINOISOINDOL-YL](1H-1,2,3-TRIAZOL-5-YL)METHANONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 — — US disclosed
EP-3555101-A2 [(PHENYLSULFONYL)OCTAHYDRO-EPIMINOISOINDOL-YL](1H-1,2,3-TRIAZOL-5-YL)METHANONES Bayer Pharma Aktiengesellschaft (DE) 2019-10-23 — — EP disclosed
WO-2018114677-A2 [(PHENYLSULFONYL)OCTAHYDRO-EPIMINOISOINDOL-YL](1H-1,2,3-TRIAZOL-5-YL)METHANONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-28 — — WO 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-20200085791-A1 [(PHENYLSULFONYL)OCTAHYDRO-EPIMINOISOINDOL-YL](1H-1,2,3-TRIAZOL-5-YL)METHANONES PKD1, CCND2, SRD5A1 CHRNB2 4854/4885CHRNA3 4809/4885CHRNA4 4848/4885

“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.

Send feedback