SCHEMBL21100022

SCHEMBL21100022

O=C(ON1C(=O)CCC1=O)[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)ON2C(=O)CCC2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.35
▸ ACE P12821 4/20 0.34
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL21100019 0.92 MAPT (0.36) CNR2POLBHPGD
SCHEMBL18532509 0.85 PARP1 (0.43) POLB
SCHEMBL30439285 0.84 PARP1 (0.39) POLB
SCHEMBL16518772 0.82 CNR1 (0.32) CNR2ACE
SCHEMBL22342473 0.80 ALDH1A1 (0.36) ACE
SCHEMBL19658364 0.79 ACE (0.35) ACE
SCHEMBL29484187 0.79 HSD17B10 (0.52) HPGD
SCHEMBL9893215 0.78 HSD17B10 (0.50) HPGD
SCHEMBL357242 0.78 HSD17B10 (0.50) HPGD
SCHEMBL4959104 0.78 HSD17B10 (0.50) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689430-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2020-06-23 — — US disclosed
US-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-06-13 — — 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-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 CNR2 440/4885ACE 1731/4885POLB 3593/4885
US-10689430-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 CNR2 440/4885ACE 1731/4885POLB 3593/4885

“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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