SCHEMBL20533530

SCHEMBL20533530

O=C(O)N1CCC2(CC1)CCN(C1CC1)C2=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.35
ITGB3 P05106 7/20 0.34
ITGA2B P08514 7/20 0.34
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RIPK1 Q13546 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 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
SCHEMBL3698736 0.79 HSD11B1 (0.39) HSD11B1
SCHEMBL549462 0.79 HSD11B1 (0.39) HSD11B1
SCHEMBL3639613 0.79 HSD11B1 (0.39) HSD11B1
SCHEMBL549461 0.79 HSD11B1 (0.39) HSD11B1
SCHEMBL3643325 0.79 HSD11B1 (0.39) HSD11B1
SCHEMBL2700495 0.79 HSD11B1 (0.39) HSD11B1
SCHEMBL2700492 0.79 HSD11B1 (0.39) HSD11B1
SCHEMBL4721581 0.77 HSD11B1 (0.43) HSD11B1CYP2C19ALDH1A1
SCHEMBL20475505 0.77 HRH3 (0.50) DDB1CRBN
SCHEMBL4720385 0.76 ALDH1A1 (0.53) HSD11B1CYP2C19ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3582780-B1 AMINO PYRIMIDINE COMPOUNDS USEFUL AS SSAO INHIBITORS LILLY CO ELI (US) 2021-10-13 EP disclosed
US-10471060-B2 Amino pyrimidine compounds useful as SSAO inhibitors ELI LILLY AND COMPANY (US) 2019-11-12 US disclosed
US-20190275041-A1 AMINO PYRIMIDINE COMPOUNDS USEFUL AS SSAO INHIBITORS ELI LILLY AND COMPANY (US) 2019-09-12 US disclosed
US-10278970-B2 Amino pyrimidine compounds useful as SSAO inhibitors ELI LILLY AND COMPANY (US) 2019-05-07 US disclosed
US-20180296560-A1 AMINO PYRIMIDINE COMPOUNDS USEFUL AS SSAO INHIBITORS ELI LILLY AND COMPANY 2018-10-18 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 (4 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-10278970-B2 Amino pyrimidine compounds useful as SSAO inhibitors DPYD, TYMP, NUDT1 HSD11B1 3312/4885ITGB3 3781/4885ITGA2B 3073/4885
US-20180296560-A1 AMINO PYRIMIDINE COMPOUNDS USEFUL AS SSAO INHIBITORS DPYD, TYMP, NUDT1 HSD11B1 3312/4885ITGB3 3781/4885ITGA2B 3073/4885
US-10471060-B2 Amino pyrimidine compounds useful as SSAO inhibitors DPYD, TYMP, NUDT1 HSD11B1 3312/4885ITGB3 3781/4885ITGA2B 3073/4885
US-20190275041-A1 AMINO PYRIMIDINE COMPOUNDS USEFUL AS SSAO INHIBITORS DPYD, TYMP, NUDT1 HSD11B1 3312/4885ITGB3 3781/4885ITGA2B 3073/4885

“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.