SCHEMBL18192050

SCHEMBL18192050

CC(C)(C)N1CCC2(CCN(C(=O)O)CC2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
USP30 Q70CQ3 1/20 0.33
RIPK1 Q13546 2/20 0.32
ITGB3 P05106 4/20 0.31
ITGA2B P08514 4/20 0.31
HSD11B1 P28845 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL769743 0.88 TRPV1 (0.38) POLBTRPV1USP30RIPK1HSD11B1
SCHEMBL24952511 0.83 CHRM2 (0.32)
SCHEMBL20533859 0.81 USP2 (0.45) USP30DDB1CRBN
SCHEMBL9966010 0.78 CHRM2 (0.43)
SCHEMBL1299428 0.77 GRIN1 (0.35) TRPV1RIPK1ITGB3ITGA2BDDB1
SCHEMBL14681912 0.75 HRH3 (0.31) CRBN
Hydrochloric Acid SCHEMBL20533496 0.74 HRH3 (0.30) CRBN
SCHEMBL9963243 0.74 CYP2D6 (0.36) POLB
SCHEMBL20335684 0.73 POLB (0.36) POLBTRPV1
SCHEMBL20568003 0.72 GRIN1 (0.38) RIPK1ITGB3ITGA2BDDB1CRBN

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 6 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
EP-2877471-B1 SPIRO-FUSED PIPERIDINE DERIVATIVES FOR USE AS INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-11-02 EP 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 POLB 287/4885TRPV1 4791/4885USP30 4334/4885
US-20180296560-A1 AMINO PYRIMIDINE COMPOUNDS USEFUL AS SSAO INHIBITORS DPYD, TYMP, NUDT1 POLB 287/4885TRPV1 4791/4885USP30 4334/4885
US-10471060-B2 Amino pyrimidine compounds useful as SSAO inhibitors DPYD, TYMP, NUDT1 POLB 287/4885TRPV1 4791/4885USP30 4334/4885
US-20190275041-A1 AMINO PYRIMIDINE COMPOUNDS USEFUL AS SSAO INHIBITORS DPYD, TYMP, NUDT1 POLB 287/4885TRPV1 4791/4885USP30 4334/4885

“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.