SCHEMBL13768839

SCHEMBL13768839

COC(=O)C1CC(N=[N+]=[N-])CN1C(=O)OC(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 3/20 0.70
▸ ANPEP P15144 3/20 0.70
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NR1H2 P55055 2/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ DPP4 P27487 3/20 0.34
▸ DPP8 Q6V1X1 3/20 0.34
▸ DPP9 Q86TI2 3/20 0.34
▸ DPP7 Q9UHL4 3/20 0.34
▸ P2RX3 P56373 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ HTRA1 Q92743 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
SCHEMBL13937654 1.00 MMP2 (0.70) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL13494285 1.00 MMP2 (0.70) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL15482322 1.00 MMP2 (0.70) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL20215871 1.00 MMP2 (0.70) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL13841888 1.00 MMP2 (0.70) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL19898335 0.89 MMP2 (0.54) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL13868207 0.89 MMP2 (0.54) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL25594421 0.89 MMP2 (0.54) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL26967475 0.89 MMP2 (0.54) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL13962503 0.88 MMP2 (0.56) MMP2ANPEPPOLBNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3472149-A1 HETEROCYCLIC PROLINAMIDE DERIVATIVES ORION OPTHALMOLOGY LLC (US) 2019-04-24 — — EP disclosed
WO-2017222915-A1 HETEROCYCLIC PROLINAMIDE DERIVATIVES INCEPTION 4, INC. (US) 2017-12-28 — — WO disclosed
EP-2776409-B1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS CORP (US) 2016-02-03 — — EP disclosed
US-20140309265-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS (US) 2014-10-16 — — US disclosed
EP-2537845-B1 6H-DIBENZO[B,E]OXEPINE DERIVED NONSTEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2014-03-19 — — EP disclosed
EP-2537845-A1 6H-dibenzo[B,E]oxepine derived nonsteroidal mineralocorticoid receptor antagonists Eli Lilly and Company (US) 2012-12-26 — — EP disclosed
US-7994164-B2 Mineralocorticoid receptor antagonists and methods of use ELI LILLY AND COMPANY (US) 2011-08-09 — — US disclosed
WO-2009085584-A1 6H-DIBENZ0 [B, E] OXEPINE DERIVED NONSTEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-07-09 — — WO disclosed
US-20090163472-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS AND METHODS OF USE ELI LILLY AND COMPANY 2009-06-25 — — 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-20090163472-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS AND METHODS OF USE NR3C2, MC2R, REN MMP2 2015/4885ANPEP 2686/4885CYP1A2 806/4885
US-20140309265-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS API5, BIRC5, BAD MMP2 2035/4885ANPEP 1414/4885CYP1A2 4246/4885

“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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